N-[2-(diethylamino)-3-phenylpropyl]piperidine-2-carboxamide;dihydrochloride

C19H33Cl2N3O — CID 119849955

IUPACN-[2-(diethylamino)-3-phenylpropyl]piperidine-2-carboxamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C1CCCCN1)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-3-22(4-2)17(14-16-10-6-5-7-11-16)15-21-19(23)18-12-8-9-13-20-18;;/h5-7,10-11,17-18,20H,3-4,8-9,12-15H2,1-2H3,(H,21,23);2*1H
InChIKeyHUGYCXSPKYIPKX-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.04
Rot. Bonds8

About N-[2-(diethylamino)-3-phenylpropyl]piperidine-2-carboxamide;dihydrochloride

N-[2-(diethylamino)-3-phenylpropyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119849955) has the molecular formula C19H33Cl2N3O and a molecular weight of 390.40 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-phenylpropyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-phenylpropyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119849955
Molecular FormulaC19H33Cl2N3O
Molecular Weight390.40 g/mol
Exact Mass389.20
IUPAC NameN-[2-(diethylamino)-3-phenylpropyl]piperidine-2-carboxamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C1CCCCN1)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-3-22(4-2)17(14-16-10-6-5-7-11-16)15-21-19(23)18-12-8-9-13-20-18;;/h5-7,10-11,17-18,20H,3-4,8-9,12-15H2,1-2H3,(H,21,23);2*1H
InChIKeyHUGYCXSPKYIPKX-UHFFFAOYSA-N
XLogP3.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-3-phenylpropyl]morpholine-3-carboxamide
CID 119849942
N-(2,3-diphenylpropyl)piperidine-2-carboxamide
CID 119335224
(2R)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119676963
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide
CID 103807955
N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride
CID 119335458
N-(2-methoxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119278882
3-amino-N-[2-(diethylamino)-3-phenylpropyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119849953
N-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119849977
methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride
CID 119290974
2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913877
ethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate
CID 119336032

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]piperidine-2-carboxamide;dihydrochloride (CID 119849955) is N-[2-(diethylamino)-3-phenylpropyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(diethylamino)-3-phenylpropyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(diethylamino)-3-phenylpropyl]piperidine-2-carboxamide;dihydrochloride is CCN(CC)C(CNC(=O)C1CCCCN1)Cc1ccccc1.Cl.Cl.
What is the InChIKey of N-[2-(diethylamino)-3-phenylpropyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is HUGYCXSPKYIPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.2ClH/c1-3-22(4-2)17(14-16-10-6-5-7-11-16)15-21-19(23)18-12-8-9-13-20-18;;/h5-7,10-11,17-18,20H,3-4,8-9,12-15H2,1-2H3,(H,21,23);2*1H.
What are the key properties of N-[2-(diethylamino)-3-phenylpropyl]piperidine-2-carboxamide;dihydrochloride?
N-[2-(diethylamino)-3-phenylpropyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 390.40 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-phenylpropyl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119849955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).