1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride

C22H32ClN3O2 — CID 119623436

IUPAC1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
SMILESCl.O=C(C(c1ccccc1)N1CCCCC1=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C22H31N3O2.ClH/c26-20-8-4-5-13-25(20)21(18-6-2-1-3-7-18)22(27)24-14-11-19(12-15-24)23-16-17-9-10-17;/h1-3,6-7,17,19,21,23H,4-5,8-16H2;1H
InChIKeyJAMPHLAWZUFZAY-UHFFFAOYSA-N
MW405.97 g/mol
LogP3.15
Rot. Bonds6

About 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride

1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride (PubChem CID 119623436) has the molecular formula C22H32ClN3O2 and a molecular weight of 405.97 g/mol. Its IUPAC name is 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
PubChem CID119623436
Molecular FormulaC22H32ClN3O2
Molecular Weight405.97 g/mol
Exact Mass405.22
IUPAC Name1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
SMILESCl.O=C(C(c1ccccc1)N1CCCCC1=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C22H31N3O2.ClH/c26-20-8-4-5-13-25(20)21(18-6-2-1-3-7-18)22(27)24-14-11-19(12-15-24)23-16-17-9-10-17;/h1-3,6-7,17,19,21,23H,4-5,8-16H2;1H
InChIKeyJAMPHLAWZUFZAY-UHFFFAOYSA-N
XLogP3.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.97
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride with MolForge

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Related Compounds

N-(cyclopropylmethyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515214
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
CID 119663039
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride
CID 119621849
(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638802
1-[2-(3-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one
CID 75420204
N-(4-aminocyclohexyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 119476626
1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56514843
1-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504647
methyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate
CID 56540269
N-(4-hydroxycyclohexyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 111113210
1-[2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56577971
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56506114

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride?
The IUPAC name of 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride (CID 119623436) is 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride.
What is the SMILES notation for 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride?
The canonical SMILES for 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride is Cl.O=C(C(c1ccccc1)N1CCCCC1=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride?
The InChIKey is JAMPHLAWZUFZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2.ClH/c26-20-8-4-5-13-25(20)21(18-6-2-1-3-7-18)22(27)24-14-11-19(12-15-24)23-16-17-9-10-17;/h1-3,6-7,17,19,21,23H,4-5,8-16H2;1H.
What are the key properties of 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride?
1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride has a molecular weight of 405.97 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride is sourced from PubChem (CID 119623436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).