(2R)-2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]-N-ethylpropanamide

C17H26ClN3O — CID 95146929

IUPAC(2R)-2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NC1CCN(c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C17H26ClN3O/c1-4-19-17(22)13(3)20-14-7-9-21(10-8-14)15-6-5-12(2)16(18)11-15/h5-6,11,13-14,20H,4,7-10H2,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyBGWSZCNXIMQPKU-CYBMUJFWSA-N
MW323.87 g/mol
LogP2.73
Rot. Bonds5

About (2R)-2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]-N-ethylpropanamide

(2R)-2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]-N-ethylpropanamide (PubChem CID 95146929) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is (2R)-2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]-N-ethylpropanamide
PubChem CID95146929
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC Name(2R)-2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NC1CCN(c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C17H26ClN3O/c1-4-19-17(22)13(3)20-14-7-9-21(10-8-14)15-6-5-12(2)16(18)11-15/h5-6,11,13-14,20H,4,7-10H2,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyBGWSZCNXIMQPKU-CYBMUJFWSA-N
XLogP2.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[(1-ethylpiperidin-4-yl)amino]propanamide
CID 43400100
methyl 1-(3-chloro-4-methylphenyl)piperidine-4-carboxylate
CID 117028048
N-ethyl-2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 43400111
4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104516
N-methyl-2-[(1-phenylpiperidin-4-yl)amino]propanamide
CID 103778222
1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 117008174
4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide
CID 3323200
N-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide
CID 65074151
4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide
CID 131898978
2-chloro-2-(3-chloro-4-methylphenyl)-N-ethylacetamide
CID 106818458
2-[[1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]amino]acetonitrile
CID 117004666
N-ethyl-2-(4-piperidin-1-ylanilino)propanamide
CID 60673103

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]-N-ethylpropanamide?
The IUPAC name of (2R)-2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]-N-ethylpropanamide (CID 95146929) is (2R)-2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]-N-ethylpropanamide?
The canonical SMILES for (2R)-2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]-N-ethylpropanamide is CCNC(=O)[C@@H](C)NC1CCN(c2ccc(C)c(Cl)c2)CC1.
What is the InChIKey of (2R)-2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]-N-ethylpropanamide?
The InChIKey is BGWSZCNXIMQPKU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26ClN3O/c1-4-19-17(22)13(3)20-14-7-9-21(10-8-14)15-6-5-12(2)16(18)11-15/h5-6,11,13-14,20H,4,7-10H2,1-3H3,(H,19,22)/t13-/m1/s1.
What are the key properties of (2R)-2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]-N-ethylpropanamide?
(2R)-2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]-N-ethylpropanamide has a molecular weight of 323.87 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]-N-ethylpropanamide is sourced from PubChem (CID 95146929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).