N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride

C20H26ClN3O — CID 119300266

IUPACN-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(Nc1ccc(NC(=O)C2CCNCC2)cc1)c1ccccc1.Cl
InChIInChI=1S/C20H25N3O.ClH/c1-15(16-5-3-2-4-6-16)22-18-7-9-19(10-8-18)23-20(24)17-11-13-21-14-12-17;/h2-10,15,17,21-22H,11-14H2,1H3,(H,23,24);1H
InChIKeyKVEJFYUCJCAZFU-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.22
Rot. Bonds5

About N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride

N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119300266) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119300266
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC NameN-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(Nc1ccc(NC(=O)C2CCNCC2)cc1)c1ccccc1.Cl
InChIInChI=1S/C20H25N3O.ClH/c1-15(16-5-3-2-4-6-16)22-18-7-9-19(10-8-18)23-20(24)17-11-13-21-14-12-17;/h2-10,15,17,21-22H,11-14H2,1H3,(H,23,24);1H
InChIKeyKVEJFYUCJCAZFU-UHFFFAOYSA-N
XLogP4.22
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
CID 119300277
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119268961
N-[3-(difluoromethyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119314349
N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119300296
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
N-[3-chloro-4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
CID 119300297
3-amino-N-[4-(1-phenylethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119743286
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119326813

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride (CID 119300266) is N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride is CC(Nc1ccc(NC(=O)C2CCNCC2)cc1)c1ccccc1.Cl.
What is the InChIKey of N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is KVEJFYUCJCAZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.ClH/c1-15(16-5-3-2-4-6-16)22-18-7-9-19(10-8-18)23-20(24)17-11-13-21-14-12-17;/h2-10,15,17,21-22H,11-14H2,1H3,(H,23,24);1H.
What are the key properties of N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride?
N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 359.90 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119300266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).