(4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one

C19H27N3O2 — CID 126428390

IUPAC(4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN1C(=O)C[C@H](C(=O)N2CCC(Cc3cccnc3)CC2)C1(C)C
InChIInChI=1S/C19H27N3O2/c1-19(2)16(12-17(23)21(19)3)18(24)22-9-6-14(7-10-22)11-15-5-4-8-20-13-15/h4-5,8,13-14,16H,6-7,9-12H2,1-3H3/t16-/m1/s1
InChIKeyCSMLRCSRQQRLBF-MRXNPFEDSA-N
MW329.44 g/mol
LogP2.12
Rot. Bonds3

About (4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one

(4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 126428390) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID126428390
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN1C(=O)C[C@H](C(=O)N2CCC(Cc3cccnc3)CC2)C1(C)C
InChIInChI=1S/C19H27N3O2/c1-19(2)16(12-17(23)21(19)3)18(24)22-9-6-14(7-10-22)11-15-5-4-8-20-13-15/h4-5,8,13-14,16H,6-7,9-12H2,1-3H3/t16-/m1/s1
InChIKeyCSMLRCSRQQRLBF-MRXNPFEDSA-N
XLogP2.12
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
(4R)-1-methyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-3,4-dihydroquinolin-2-one
CID 126438660
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 136538935
[(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 126435090
2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394
1-methyl-2-oxo-8-(3-pyridin-3-ylpropanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72861938
[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 136519932
1,5,5-trimethyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 91840554
(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136519981
3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 119068773

Frequently Asked Questions

What is the IUPAC name of (4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 126428390) is (4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one is CN1C(=O)C[C@H](C(=O)N2CCC(Cc3cccnc3)CC2)C1(C)C.
What is the InChIKey of (4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is CSMLRCSRQQRLBF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-19(2)16(12-17(23)21(19)3)18(24)22-9-6-14(7-10-22)11-15-5-4-8-20-13-15/h4-5,8,13-14,16H,6-7,9-12H2,1-3H3/t16-/m1/s1.
What are the key properties of (4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 329.44 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 126428390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).