(3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone

C24H31N3O — CID 42244536

IUPAC(3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
SMILESCc1cccnc1C(=O)N1CCC([C@@H]2CCN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C24H31N3O/c1-19-6-5-13-25-23(19)24(28)27-16-11-21(12-17-27)22-10-15-26(18-22)14-9-20-7-3-2-4-8-20/h2-8,13,21-22H,9-12,14-18H2,1H3/t22-/m1/s1
InChIKeyRHUFJTLOYGHNAF-JOCHJYFZSA-N
MW377.53 g/mol
LogP3.81
Rot. Bonds5

About (3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone

(3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone (PubChem CID 42244536) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is (3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
PubChem CID42244536
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name(3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
SMILESCc1cccnc1C(=O)N1CCC([C@@H]2CCN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C24H31N3O/c1-19-6-5-13-25-23(19)24(28)27-16-11-21(12-17-27)22-10-15-26(18-22)14-9-20-7-3-2-4-8-20/h2-8,13,21-22H,9-12,14-18H2,1H3/t22-/m1/s1
InChIKeyRHUFJTLOYGHNAF-JOCHJYFZSA-N
XLogP3.81
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(3-methylfuran-2-yl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 26316106
(3-methylfuran-2-yl)-[4-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 26316109
furan-3-yl-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 45238952
[(3aS,8aR)-6-(3-methoxypropyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-2-yl]-(3-methyl-2-pyridinyl)methanone
CID 155877497
[(3aS,8aR)-6-[(2-methylpyrazol-3-yl)methyl]-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-2-yl]-(3-methyl-2-pyridinyl)methanone
CID 155877153
1-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 45188532
(4-hydroxycyclohexyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 42287691
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 66291772
[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 45221954
(3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119482706
N-cyclopropyl-2-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]acetamide
CID 56893950
(4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 110098379

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone (CID 42244536) is (3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone is Cc1cccnc1C(=O)N1CCC([C@@H]2CCN(CCc3ccccc3)C2)CC1.
What is the InChIKey of (3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone?
The InChIKey is RHUFJTLOYGHNAF-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H31N3O/c1-19-6-5-13-25-23(19)24(28)27-16-11-21(12-17-27)22-10-15-26(18-22)14-9-20-7-3-2-4-8-20/h2-8,13,21-22H,9-12,14-18H2,1H3/t22-/m1/s1.
What are the key properties of (3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone?
(3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone has a molecular weight of 377.53 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 42244536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).