1-[(3S)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one

C20H27N5O2 — CID 92564198

IUPAC1-[(3S)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCc1nc([C@H]2CCCN(C(=O)CCN3CCOCC3)C2)c2cccnc2n1
InChIInChI=1S/C20H27N5O2/c1-15-22-19(17-5-2-7-21-20(17)23-15)16-4-3-8-25(14-16)18(26)6-9-24-10-12-27-13-11-24/h2,5,7,16H,3-4,6,8-14H2,1H3/t16-/m0/s1
InChIKeySYJZOPSONNMXCW-INIZCTEOSA-N
MW369.47 g/mol
LogP1.76
Rot. Bonds4

About 1-[(3S)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one

1-[(3S)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 92564198) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[(3S)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID92564198
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-[(3S)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCc1nc([C@H]2CCCN(C(=O)CCN3CCOCC3)C2)c2cccnc2n1
InChIInChI=1S/C20H27N5O2/c1-15-22-19(17-5-2-7-21-20(17)23-15)16-4-3-8-25(14-16)18(26)6-9-24-10-12-27-13-11-24/h2,5,7,16H,3-4,6,8-14H2,1H3/t16-/m0/s1
InChIKeySYJZOPSONNMXCW-INIZCTEOSA-N
XLogP1.76
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110237598
(2-methylcyclopropyl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone
CID 110237617
(5-ethyl-1,2-oxazol-3-yl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone
CID 110237619
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 70753428
3-[(3S)-1-(3-morpholin-4-ylpropanoyl)piperidin-3-yl]benzoic acid
CID 97205647
3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 110256583
1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 92560138
1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 171666983
1-[(3R)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95838897
1-[3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 110267979
1-[3-[3-(1,4-oxazepan-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 110235220
1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819217

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[(3S)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one (CID 92564198) is 1-[(3S)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one is Cc1nc([C@H]2CCCN(C(=O)CCN3CCOCC3)C2)c2cccnc2n1.
What is the InChIKey of 1-[(3S)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is SYJZOPSONNMXCW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-22-19(17-5-2-7-21-20(17)23-15)16-4-3-8-25(14-16)18(26)6-9-24-10-12-27-13-11-24/h2,5,7,16H,3-4,6,8-14H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(3S)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
1-[(3S)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 369.47 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 92564198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).