N-[2-(3-phenylpropoxy)phenyl]piperidine-4-carboxamide;hydrochloride

C21H27ClN2O2 — CID 154888171

IUPACN-[2-(3-phenylpropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1OCCCc1ccccc1)C1CCNCC1
InChIInChI=1S/C21H26N2O2.ClH/c24-21(18-12-14-22-15-13-18)23-19-10-4-5-11-20(19)25-16-6-9-17-7-2-1-3-8-17;/h1-5,7-8,10-11,18,22H,6,9,12-16H2,(H,23,24);1H
InChIKeySRQYVBYQYLHBGC-UHFFFAOYSA-N
MW374.91 g/mol
LogP4.06
Rot. Bonds7

About N-[2-(3-phenylpropoxy)phenyl]piperidine-4-carboxamide;hydrochloride

N-[2-(3-phenylpropoxy)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 154888171) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is N-[2-(3-phenylpropoxy)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-phenylpropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID154888171
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC NameN-[2-(3-phenylpropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1OCCCc1ccccc1)C1CCNCC1
InChIInChI=1S/C21H26N2O2.ClH/c24-21(18-12-14-22-15-13-18)23-19-10-4-5-11-20(19)25-16-6-9-17-7-2-1-3-8-17;/h1-5,7-8,10-11,18,22H,6,9,12-16H2,(H,23,24);1H
InChIKeySRQYVBYQYLHBGC-UHFFFAOYSA-N
XLogP4.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopropylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119332686
2-[[2-(3-phenylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17131410
1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide
CID 55674924
N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119284707
(3aR,6aS)-N-[2-(3-phenylpropoxy)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide;hydrochloride
CID 154900905
N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 18072532
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
N-(2-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 54794739
(3S,4S)-3,4-dihydroxy-N-[2-(3-phenylpropoxy)phenyl]piperidine-1-carboxamide
CID 118761290
(3S)-N-[2-[(3-chlorophenyl)methoxy]phenyl]pyrrolidine-3-carboxamide
CID 124594929
N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]piperidine-4-carboxamide
CID 119341376
N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide
CID 110482330

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpropoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-phenylpropoxy)phenyl]piperidine-4-carboxamide;hydrochloride (CID 154888171) is N-[2-(3-phenylpropoxy)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-phenylpropoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-phenylpropoxy)phenyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccccc1OCCCc1ccccc1)C1CCNCC1.
What is the InChIKey of N-[2-(3-phenylpropoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is SRQYVBYQYLHBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c24-21(18-12-14-22-15-13-18)23-19-10-4-5-11-20(19)25-16-6-9-17-7-2-1-3-8-17;/h1-5,7-8,10-11,18,22H,6,9,12-16H2,(H,23,24);1H.
What are the key properties of N-[2-(3-phenylpropoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
N-[2-(3-phenylpropoxy)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpropoxy)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 154888171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).