5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

C20H29N5O3 — CID 56918421

IUPAC5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc[nH]c1=O)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C20H29N5O3/c26-18-17(12-21-14-22-18)20(28)24-10-5-16(6-11-24)25-9-3-4-15(13-25)19(27)23-7-1-2-8-23/h12,14-16H,1-11,13H2,(H,21,22,26)
InChIKeyLJWWBTXFASJZNV-UHFFFAOYSA-N
MW387.48 g/mol
LogP0.71
Rot. Bonds3

About 5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 56918421) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID56918421
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc[nH]c1=O)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C20H29N5O3/c26-18-17(12-21-14-22-18)20(28)24-10-5-16(6-11-24)25-9-3-4-15(13-25)19(27)23-7-1-2-8-23/h12,14-16H,1-11,13H2,(H,21,22,26)
InChIKeyLJWWBTXFASJZNV-UHFFFAOYSA-N
XLogP0.71
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-{[4-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidin-1'-yl]carbonyl}pyrimidin-4(3H)-one
CID 56751503
N-cyclopropyl-1'-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-1,4'-bipiperidine-3-carboxamide
CID 56760168
2-Cyclopentyl-8-[(6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70709111
2-methyl-5-{[3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidin-1'-yl]carbonyl}pyrimidin-4(3H)-one
CID 70716004
2-Ethyl-9-[(6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72869529
(3S)-N-cyclopropyl-1-[1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95230881
(3R)-N-cyclopropyl-1-[1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95230882
5-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 95563750
5-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 95563751
(6S)-2-cyclopentyl-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96363016
(6R)-2-cyclopentyl-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96363017
2-methyl-5-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 96572681

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 56918421) is 5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is O=C(c1cnc[nH]c1=O)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of 5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is LJWWBTXFASJZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c26-18-17(12-21-14-22-18)20(28)24-10-5-16(6-11-24)25-9-3-4-15(13-25)19(27)23-7-1-2-8-23/h12,14-16H,1-11,13H2,(H,21,22,26).
What are the key properties of 5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 387.48 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 56918421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).