2-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C23H32N4O3 — CID 136774699

IUPAC2-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(C1CC1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)CC3CCCC3)[nH]c2=O)C1
InChIInChI=1S/C23H32N4O3/c28-20(13-15-5-1-2-6-15)27-11-4-3-7-19(27)21-24-18-14-26(23(30)16-8-9-16)12-10-17(18)22(29)25-21/h15-16,19H,1-14H2,(H,24,25,29)/t19-/m0/s1
InChIKeyYYVMPKYLMVBAGI-IBGZPJMESA-N
MW412.53 g/mol
LogP2.70
Rot. Bonds4

About 2-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136774699) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136774699
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name2-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(C1CC1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)CC3CCCC3)[nH]c2=O)C1
InChIInChI=1S/C23H32N4O3/c28-20(13-15-5-1-2-6-15)27-11-4-3-7-19(27)21-24-18-14-26(23(30)16-8-9-16)12-10-17(18)22(29)25-21/h15-16,19H,1-14H2,(H,24,25,29)/t19-/m0/s1
InChIKeyYYVMPKYLMVBAGI-IBGZPJMESA-N
XLogP2.70
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774715
7-acetyl-2-[(2R)-1-(2-cyclohexylacetyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774883
2-[(2R)-1-(cyclopentanecarbonyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774689
2-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774717
2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774817
6-(2-cyclohexylacetyl)-2-(1-propanoylpyrrolidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796842
7-(cyclopropanecarbonyl)-2-[(2S)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137072632
2-[1-(2-cyclohexylacetyl)piperidin-2-yl]-7-(pyridin-4-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796709
6-(2-cyclopentylacetyl)-2-[(2R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891746
7-(cyclopropanecarbonyl)-2-[(2R)-1-[(2S)-2-(4-methylphenyl)propanoyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136860827
7-cyclohexyl-2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774792
2-[(2S)-1-(cyclobutanecarbonyl)piperidin-2-yl]-7-(pyridine-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136682425

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136774699) is 2-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=C(C1CC1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)CC3CCCC3)[nH]c2=O)C1.
What is the InChIKey of 2-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is YYVMPKYLMVBAGI-IBGZPJMESA-N. The full InChI is InChI=1S/C23H32N4O3/c28-20(13-15-5-1-2-6-15)27-11-4-3-7-19(27)21-24-18-14-26(23(30)16-8-9-16)12-10-17(18)22(29)25-21/h15-16,19H,1-14H2,(H,24,25,29)/t19-/m0/s1.
What are the key properties of 2-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 412.53 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136774699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).