(2R)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride

C19H30Cl2N4O2 — CID 119872711

IUPAC(2R)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)[C@H]1CCCCN1
InChIInChI=1S/C19H28N4O2.2ClH/c24-18(14-21-19(25)17-8-4-5-9-20-17)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16;;/h1-3,6-7,17,20H,4-5,8-15H2,(H,21,25);2*1H/t17-;;/m1../s1
InChIKeyBJRRTIYZUNMAGP-ZEECNFPPSA-N
MW417.38 g/mol
LogP1.43
Rot. Bonds5

About (2R)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride

(2R)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119872711) has the molecular formula C19H30Cl2N4O2 and a molecular weight of 417.38 g/mol. Its IUPAC name is (2R)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119872711
Molecular FormulaC19H30Cl2N4O2
Molecular Weight417.38 g/mol
Exact Mass416.17
IUPAC Name(2R)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)[C@H]1CCCCN1
InChIInChI=1S/C19H28N4O2.2ClH/c24-18(14-21-19(25)17-8-4-5-9-20-17)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16;;/h1-3,6-7,17,20H,4-5,8-15H2,(H,21,25);2*1H/t17-;;/m1../s1
InChIKeyBJRRTIYZUNMAGP-ZEECNFPPSA-N
XLogP1.43
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119872735
(2R)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride
CID 119871472
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(4-benzyl-1,4-diazepan-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 119399417
(2R)-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-2-carboxamide
CID 119829812
(2R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119834947
1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride
CID 119826750
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
(2S)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119836228
2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 119872718
(2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride
CID 119878274
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-2-carboxamide
CID 119834969

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride (CID 119872711) is (2R)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is BJRRTIYZUNMAGP-ZEECNFPPSA-N. The full InChI is InChI=1S/C19H28N4O2.2ClH/c24-18(14-21-19(25)17-8-4-5-9-20-17)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16;;/h1-3,6-7,17,20H,4-5,8-15H2,(H,21,25);2*1H/t17-;;/m1../s1.
What are the key properties of (2R)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride?
(2R)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 417.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119872711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).