N,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide

C20H29N3O2 — CID 95293027

IUPACN,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
SMILESCc1ccccc1[C@@H]1CCN(C(=O)C2CCN(C(=O)N(C)C)CC2)C1
InChIInChI=1S/C20H29N3O2/c1-15-6-4-5-7-18(15)17-10-13-23(14-17)19(24)16-8-11-22(12-9-16)20(25)21(2)3/h4-7,16-17H,8-14H2,1-3H3/t17-/m1/s1
InChIKeyWAKUJEDJQQYSSI-QGZVFWFLSA-N
MW343.47 g/mol
LogP2.70
Rot. Bonds2

About N,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide

N,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 95293027) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
PubChem CID95293027
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
SMILESCc1ccccc1[C@@H]1CCN(C(=O)C2CCN(C(=O)N(C)C)CC2)C1
InChIInChI=1S/C20H29N3O2/c1-15-6-4-5-7-18(15)17-10-13-23(14-17)19(24)16-8-11-22(12-9-16)20(25)21(2)3/h4-7,16-17H,8-14H2,1-3H3/t17-/m1/s1
InChIKeyWAKUJEDJQQYSSI-QGZVFWFLSA-N
XLogP2.70
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-1-methyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95278838
2-[3-(2-methylphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975828
trans-(1R,2R)-2-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129467421
3-methyl-1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 95296201
(2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119314086
4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 45219648
N,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide
CID 45219447
N,N-dimethyl-4-[(4R)-2,2,4-trimethyl-3,4-dihydroquinoline-1-carbonyl]piperidine-1-carboxamide
CID 97260502
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95292486
1-azabicyclo[3.3.1]nonan-5-yl-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 138030571
1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 95295911
(3aS,4R,6aR)-N,N-dimethyl-4-(2-methylphenyl)-2-(oxane-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 166616245

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide (CID 95293027) is N,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide is Cc1ccccc1[C@@H]1CCN(C(=O)C2CCN(C(=O)N(C)C)CC2)C1.
What is the InChIKey of N,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is WAKUJEDJQQYSSI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-6-4-5-7-18(15)17-10-13-23(14-17)19(24)16-8-11-22(12-9-16)20(25)21(2)3/h4-7,16-17H,8-14H2,1-3H3/t17-/m1/s1.
What are the key properties of N,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide?
N,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 95293027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).