(4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

C20H25N5O2 — CID 97153223

IUPAC(4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESCn1ccnc1C1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1
InChIInChI=1S/C20H25N5O2/c1-23-11-8-22-19(23)15-5-9-24(10-6-15)20(27)16-12-18(26)25(13-16)14-17-4-2-3-7-21-17/h2-4,7-8,11,15-16H,5-6,9-10,12-14H2,1H3/t16-/m0/s1
InChIKeyCWKCSNQAJJNLIY-INIZCTEOSA-N
MW367.45 g/mol
LogP1.57
Rot. Bonds4

About (4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

(4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (PubChem CID 97153223) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
PubChem CID97153223
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESCn1ccnc1C1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1
InChIInChI=1S/C20H25N5O2/c1-23-11-8-22-19(23)15-5-9-24(10-6-15)20(27)16-12-18(26)25(13-16)14-17-4-2-3-7-21-17/h2-4,7-8,11,15-16H,5-6,9-10,12-14H2,1H3/t16-/m0/s1
InChIKeyCWKCSNQAJJNLIY-INIZCTEOSA-N
XLogP1.57
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97150099
(4R)-1-(pyridin-2-ylmethyl)-4-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 96783398
(4R)-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 52536774
(4S)-4-(4-methylsulfonylpiperazine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 94149560
5-oxo-N-[4-(piperidine-1-carbonyl)cyclohexyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 169418251
(4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97200214
N-cyclopropyl-3-[1-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide
CID 45179797
N-cyclopropyl-3-[1-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide
CID 42287246
(4S)-4-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindole-2-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 95532445
(4S)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97275458
1-butyl-4-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperazin-2-one
CID 97207249
[(3R)-1-methylpiperidin-3-yl]-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97122863

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (CID 97153223) is (4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is Cn1ccnc1C1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1.
What is the InChIKey of (4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is CWKCSNQAJJNLIY-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-23-11-8-22-19(23)15-5-9-24(10-6-15)20(27)16-12-18(26)25(13-16)14-17-4-2-3-7-21-17/h2-4,7-8,11,15-16H,5-6,9-10,12-14H2,1H3/t16-/m0/s1.
What are the key properties of (4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
(4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 367.45 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 97153223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).