N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride

C19H30Cl2N4O2 — CID 119870654

IUPACN-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)C1CCCNC1
InChIInChI=1S/C19H28N4O2.2ClH/c24-18(8-10-21-19(25)16-5-4-9-20-15-16)23-13-11-22(12-14-23)17-6-2-1-3-7-17;;/h1-3,6-7,16,20H,4-5,8-15H2,(H,21,25);2*1H
InChIKeyBLTYPWUUMCPPOI-UHFFFAOYSA-N
MW417.38 g/mol
LogP1.68
Rot. Bonds5

About N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride

N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119870654) has the molecular formula C19H30Cl2N4O2 and a molecular weight of 417.38 g/mol. Its IUPAC name is N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119870654
Molecular FormulaC19H30Cl2N4O2
Molecular Weight417.38 g/mol
Exact Mass416.17
IUPAC NameN-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)C1CCCNC1
InChIInChI=1S/C19H28N4O2.2ClH/c24-18(8-10-21-19(25)16-5-4-9-20-15-16)23-13-11-22(12-14-23)17-6-2-1-3-7-17;;/h1-3,6-7,16,20H,4-5,8-15H2,(H,21,25);2*1H
InChIKeyBLTYPWUUMCPPOI-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride
CID 119310932
N-(3-morpholin-4-yl-3-oxopropyl)piperidine-3-carboxamide
CID 115597288
(4-phenyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride
CID 119860749
(2S,4S)-2-methyl-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]piperidine-4-carboxamide
CID 120636357
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 138038376
1-amino-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119870682
4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119312368
(4-phenyl-1,4-diazepan-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119860825
1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119558659
4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride
CID 119870712
N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119854923
N-[3-oxo-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]cyclohexanecarboxamide
CID 86878613

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride (CID 119870654) is N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)C1CCCNC1.
What is the InChIKey of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is BLTYPWUUMCPPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.2ClH/c24-18(8-10-21-19(25)16-5-4-9-20-15-16)23-13-11-22(12-14-23)17-6-2-1-3-7-17;;/h1-3,6-7,16,20H,4-5,8-15H2,(H,21,25);2*1H.
What are the key properties of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride?
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 417.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119870654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).