(3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide

C20H31N3O2 — CID 95149532

IUPAC(3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
SMILESCN(CCNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccccc1
InChIInChI=1S/C20H31N3O2/c1-20(2,3)19(25)23-13-8-9-16(15-23)18(24)21-12-14-22(4)17-10-6-5-7-11-17/h5-7,10-11,16H,8-9,12-15H2,1-4H3,(H,21,24)/t16-/m1/s1
InChIKeyKDWQZIBVRRIZEY-MRXNPFEDSA-N
MW345.49 g/mol
LogP2.52
Rot. Bonds5

About (3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide

(3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide (PubChem CID 95149532) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
PubChem CID95149532
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
SMILESCN(CCNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccccc1
InChIInChI=1S/C20H31N3O2/c1-20(2,3)19(25)23-13-8-9-16(15-23)18(24)21-12-14-22(4)17-10-6-5-7-11-17/h5-7,10-11,16H,8-9,12-15H2,1-4H3,(H,21,24)/t16-/m1/s1
InChIKeyKDWQZIBVRRIZEY-MRXNPFEDSA-N
XLogP2.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 47989978
1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 72923133
1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 47984523
1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 55789576
(3R)-N-(3-anilinopropyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 95307693
1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide
CID 111471679
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47989411
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666
1-[(4-fluorophenyl)methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 46775234
(3S)-1-ethylsulfonyl-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 94782843
N-[2-(N-methylanilino)ethyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55713142
1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 86911818

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide (CID 95149532) is (3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide is CN(CCNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)c1ccccc1.
What is the InChIKey of (3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide?
The InChIKey is KDWQZIBVRRIZEY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-20(2,3)19(25)23-13-8-9-16(15-23)18(24)21-12-14-22(4)17-10-6-5-7-11-17/h5-7,10-11,16H,8-9,12-15H2,1-4H3,(H,21,24)/t16-/m1/s1.
What are the key properties of (3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide?
(3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 95149532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).