(2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride

C15H20Cl2N2O2 — CID 119289954

IUPAC(2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C15H19ClN2O2.ClH/c1-10(17)15(20)18-8-6-12(7-9-18)14(19)11-2-4-13(16)5-3-11;/h2-5,10,12H,6-9,17H2,1H3;1H/t10-;/m0./s1
InChIKeyMIPBHCYUXRETAJ-PPHPATTJSA-N
MW331.24 g/mol
LogP2.53
Rot. Bonds3

About (2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride

(2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 119289954) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID119289954
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name(2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C15H19ClN2O2.ClH/c1-10(17)15(20)18-8-6-12(7-9-18)14(19)11-2-4-13(16)5-3-11;/h2-5,10,12H,6-9,17H2,1H3;1H/t10-;/m0./s1
InChIKeyMIPBHCYUXRETAJ-PPHPATTJSA-N
XLogP2.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119279414
N-[(2S)-1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25496758
(2S)-2-amino-1-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propan-1-one
CID 99704053
(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
CID 67529016
(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one
CID 119321782
(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 57128692
(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one
CID 66564392
(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride
CID 160738469
tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate
CID 10519988
(2S)-2-amino-1-(4-benzoylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 119699780
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
4-chloro-N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55502633

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride (CID 119289954) is (2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride is C[C@H](N)C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1.Cl.
What is the InChIKey of (2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is MIPBHCYUXRETAJ-PPHPATTJSA-N. The full InChI is InChI=1S/C15H19ClN2O2.ClH/c1-10(17)15(20)18-8-6-12(7-9-18)14(19)11-2-4-13(16)5-3-11;/h2-5,10,12H,6-9,17H2,1H3;1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride?
(2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 331.24 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119289954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).