(3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide

C24H30N4O2 — CID 124979911

IUPAC(3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide
SMILESCNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccccc2CN2CCCC2)C1
InChIInChI=1S/C24H30N4O2/c1-25-23(30)24(21-11-4-5-13-26-21)12-8-16-28(18-24)22(29)20-10-3-2-9-19(20)17-27-14-6-7-15-27/h2-5,9-11,13H,6-8,12,14-18H2,1H3,(H,25,30)/t24-/m1/s1
InChIKeyMEZFSBWZNRFXKD-XMMPIXPASA-N
MW406.53 g/mol
LogP2.60
Rot. Bonds5

About (3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide

(3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide (PubChem CID 124979911) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is (3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide
PubChem CID124979911
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name(3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide
SMILESCNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccccc2CN2CCCC2)C1
InChIInChI=1S/C24H30N4O2/c1-25-23(30)24(21-11-4-5-13-26-21)12-8-16-28(18-24)22(29)20-10-3-2-9-19(20)17-27-14-6-7-15-27/h2-5,9-11,13H,6-8,12,14-18H2,1H3,(H,25,30)/t24-/m1/s1
InChIKeyMEZFSBWZNRFXKD-XMMPIXPASA-N
XLogP2.60
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125008722
N-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 110149669
1-[[2-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110149805
1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151518
(3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124999862
1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151987
1-[2-[4-(azepan-1-yl)anilino]-2-oxoethyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110152347
(3S)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124986297
(3R)-1-[6-(1,4-dimethylpiperidin-4-yl)-2-methylpyrimidine-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125004681
(3S)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124950671
1-[3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110149427
(3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124940051

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide (CID 124979911) is (3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide is CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccccc2CN2CCCC2)C1.
What is the InChIKey of (3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide?
The InChIKey is MEZFSBWZNRFXKD-XMMPIXPASA-N. The full InChI is InChI=1S/C24H30N4O2/c1-25-23(30)24(21-11-4-5-13-26-21)12-8-16-28(18-24)22(29)20-10-3-2-9-19(20)17-27-14-6-7-15-27/h2-5,9-11,13H,6-8,12,14-18H2,1H3,(H,25,30)/t24-/m1/s1.
What are the key properties of (3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide?
(3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 124979911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).