(3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide

C20H29N3O2 — CID 124889380

IUPAC(3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)[C@H]1CCNC1
InChIInChI=1S/C20H29N3O2/c1-13-8-14(2)12-23(11-13)20(25)16-5-4-15(3)18(9-16)22-19(24)17-6-7-21-10-17/h4-5,9,13-14,17,21H,6-8,10-12H2,1-3H3,(H,22,24)/t13-,14-,17+/m1/s1
InChIKeyIDEZBYONDOJROQ-CPUCHLNUSA-N
MW343.47 g/mol
LogP2.66
Rot. Bonds3

About (3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide

(3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide (PubChem CID 124889380) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide
PubChem CID124889380
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)[C@H]1CCNC1
InChIInChI=1S/C20H29N3O2/c1-13-8-14(2)12-23(11-13)20(25)16-5-4-15(3)18(9-16)22-19(24)17-6-7-21-10-17/h4-5,9,13-14,17,21H,6-8,10-12H2,1-3H3,(H,22,24)/t13-,14-,17+/m1/s1
InChIKeyIDEZBYONDOJROQ-CPUCHLNUSA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide
CID 119286388
N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 119310578
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119759921
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55895249
N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119761439
(2S,4S)-2-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120634574
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55895003
N-(5-carbamoyl-2-methylphenyl)piperidine-4-carboxamide
CID 110471858
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119744250
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide
CID 51088341
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide
CID 55895000

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide (CID 124889380) is (3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide is Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide?
The InChIKey is IDEZBYONDOJROQ-CPUCHLNUSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-13-8-14(2)12-23(11-13)20(25)16-5-4-15(3)18(9-16)22-19(24)17-6-7-21-10-17/h4-5,9,13-14,17,21H,6-8,10-12H2,1-3H3,(H,22,24)/t13-,14-,17+/m1/s1.
What are the key properties of (3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide?
(3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124889380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).