(4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one

C20H25N5O2 — CID 97200994

IUPAC(4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCC(Cn3ccnc3)CC2)CN1Cc1cccnc1
InChIInChI=1S/C20H25N5O2/c26-19-10-18(14-25(19)13-17-2-1-5-21-11-17)20(27)24-7-3-16(4-8-24)12-23-9-6-22-15-23/h1-2,5-6,9,11,15-16,18H,3-4,7-8,10,12-14H2/t18-/m1/s1
InChIKeyYOUNGLSYEMCGKH-GOSISDBHSA-N
MW367.45 g/mol
LogP1.57
Rot. Bonds5

About (4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one

(4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one (PubChem CID 97200994) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
PubChem CID97200994
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCC(Cn3ccnc3)CC2)CN1Cc1cccnc1
InChIInChI=1S/C20H25N5O2/c26-19-10-18(14-25(19)13-17-2-1-5-21-11-17)20(27)24-7-3-16(4-8-24)12-23-9-6-22-15-23/h1-2,5-6,9,11,15-16,18H,3-4,7-8,10,12-14H2/t18-/m1/s1
InChIKeyYOUNGLSYEMCGKH-GOSISDBHSA-N
XLogP1.57
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
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

(4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97200214
4-(4-phenylmethoxypiperidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 131915998
(4S)-4-(1,4-oxazepane-4-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97202475
(4R)-4-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 98324872
1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 47042743
1-ethyl-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 72837378
4-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 162633215
3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine
CID 95717145
methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 42579837
N-ethyl-2-[4-[(3S)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
CID 97274799
(1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 91763764
7-[(3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136831947

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one (CID 97200994) is (4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one is O=C1C[C@@H](C(=O)N2CCC(Cn3ccnc3)CC2)CN1Cc1cccnc1.
What is the InChIKey of (4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
The InChIKey is YOUNGLSYEMCGKH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-19-10-18(14-25(19)13-17-2-1-5-21-11-17)20(27)24-7-3-16(4-8-24)12-23-9-6-22-15-23/h1-2,5-6,9,11,15-16,18H,3-4,7-8,10,12-14H2/t18-/m1/s1.
What are the key properties of (4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
(4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one has a molecular weight of 367.45 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 97200994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).