(3R)-1-(4-methylphenyl)-3-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]piperidin-2-one

C20H26N4O — CID 97070419

IUPAC(3R)-1-(4-methylphenyl)-3-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]piperidin-2-one
SMILESCc1ccc(N2CCC[C@@H](NC[C@@H]3CCCn4ccnc43)C2=O)cc1
InChIInChI=1S/C20H26N4O/c1-15-6-8-17(9-7-15)24-12-3-5-18(20(24)25)22-14-16-4-2-11-23-13-10-21-19(16)23/h6-10,13,16,18,22H,2-5,11-12,14H2,1H3/t16-,18+/m0/s1
InChIKeyAPSGNVDWIFNMTP-FUHWJXTLSA-N
MW338.45 g/mol
LogP2.85
Rot. Bonds4

About (3R)-1-(4-methylphenyl)-3-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]piperidin-2-one

(3R)-1-(4-methylphenyl)-3-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]piperidin-2-one (PubChem CID 97070419) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (3R)-1-(4-methylphenyl)-3-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(4-methylphenyl)-3-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]piperidin-2-one
PubChem CID97070419
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name(3R)-1-(4-methylphenyl)-3-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]piperidin-2-one
SMILESCc1ccc(N2CCC[C@@H](NC[C@@H]3CCCn4ccnc43)C2=O)cc1
InChIInChI=1S/C20H26N4O/c1-15-6-8-17(9-7-15)24-12-3-5-18(20(24)25)22-14-16-4-2-11-23-13-10-21-19(16)23/h6-10,13,16,18,22H,2-5,11-12,14H2,1H3/t16-,18+/m0/s1
InChIKeyAPSGNVDWIFNMTP-FUHWJXTLSA-N
XLogP2.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methylphenyl)-3-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]piperidin-2-one?
The IUPAC name of (3R)-1-(4-methylphenyl)-3-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]piperidin-2-one (CID 97070419) is (3R)-1-(4-methylphenyl)-3-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]piperidin-2-one.
What is the SMILES notation for (3R)-1-(4-methylphenyl)-3-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]piperidin-2-one?
The canonical SMILES for (3R)-1-(4-methylphenyl)-3-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]piperidin-2-one is Cc1ccc(N2CCC[C@@H](NC[C@@H]3CCCn4ccnc43)C2=O)cc1.
What is the InChIKey of (3R)-1-(4-methylphenyl)-3-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]piperidin-2-one?
The InChIKey is APSGNVDWIFNMTP-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-6-8-17(9-7-15)24-12-3-5-18(20(24)25)22-14-16-4-2-11-23-13-10-21-19(16)23/h6-10,13,16,18,22H,2-5,11-12,14H2,1H3/t16-,18+/m0/s1.
What are the key properties of (3R)-1-(4-methylphenyl)-3-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]piperidin-2-one?
(3R)-1-(4-methylphenyl)-3-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]piperidin-2-one has a molecular weight of 338.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methylphenyl)-3-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]piperidin-2-one is sourced from PubChem (CID 97070419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).