(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide

C15H22ClN3O — CID 119835947

IUPAC(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
SMILESC[C@@H](N)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O/c1-11(17)15(20)18-14-6-8-19(9-7-14)10-12-2-4-13(16)5-3-12/h2-5,11,14H,6-10,17H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyAQHLSEGICQZUJR-LLVKDONJSA-N
MW295.81 g/mol
LogP1.77
Rot. Bonds4

About (2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide

(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide (PubChem CID 119835947) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
PubChem CID119835947
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
SMILESC[C@@H](N)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O/c1-11(17)15(20)18-14-6-8-19(9-7-14)10-12-2-4-13(16)5-3-12/h2-5,11,14H,6-10,17H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyAQHLSEGICQZUJR-LLVKDONJSA-N
XLogP1.77
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119883495
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 24504184
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797287
1-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119835913
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide
CID 46429379
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 9389740
3-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 120504323
(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
CID 120872926
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 18121065
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of (2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide (CID 119835947) is (2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide is C[C@@H](N)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of (2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide?
The InChIKey is AQHLSEGICQZUJR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-11(17)15(20)18-14-6-8-19(9-7-14)10-12-2-4-13(16)5-3-12/h2-5,11,14H,6-10,17H2,1H3,(H,18,20)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide?
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide has a molecular weight of 295.81 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 119835947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).