1-carbamimidoyl-N-[3-[(4-phenylphenyl)methoxy]phenyl]piperidine-4-carboxamide;hydrochloride

C26H29ClN4O2 — CID 25224185

IUPAC1-carbamimidoyl-N-[3-[(4-phenylphenyl)methoxy]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CCC(C(=O)Nc2cccc(OCc3ccc(-c4ccccc4)cc3)c2)CC1
InChIInChI=1S/C26H28N4O2.ClH/c27-26(28)30-15-13-22(14-16-30)25(31)29-23-7-4-8-24(17-23)32-18-19-9-11-21(12-10-19)20-5-2-1-3-6-20;/h1-12,17,22H,13-16,18H2,(H3,27,28)(H,29,31);1H
InChIKeyYCIVUWSNTIGASM-UHFFFAOYSA-N
MW465.00 g/mol
LogP4.90
Rot. Bonds6

About 1-carbamimidoyl-N-[3-[(4-phenylphenyl)methoxy]phenyl]piperidine-4-carboxamide;hydrochloride

1-carbamimidoyl-N-[3-[(4-phenylphenyl)methoxy]phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 25224185) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is 1-carbamimidoyl-N-[3-[(4-phenylphenyl)methoxy]phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-carbamimidoyl-N-[3-[(4-phenylphenyl)methoxy]phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID25224185
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC Name1-carbamimidoyl-N-[3-[(4-phenylphenyl)methoxy]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CCC(C(=O)Nc2cccc(OCc3ccc(-c4ccccc4)cc3)c2)CC1
InChIInChI=1S/C26H28N4O2.ClH/c27-26(28)30-15-13-22(14-16-30)25(31)29-23-7-4-8-24(17-23)32-18-19-9-11-21(12-10-19)20-5-2-1-3-6-20;/h1-12,17,22H,13-16,18H2,(H3,27,28)(H,29,31);1H
InChIKeyYCIVUWSNTIGASM-UHFFFAOYSA-N
XLogP4.90
TPSA91.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[[3-[(4-phenylphenyl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 25223091
N-[3-[[4-(3-fluorophenyl)phenyl]methoxy]phenyl]piperidine-4-carboxamide;hydrochloride
CID 25224295
2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid
CID 119224819
ethyl 1-[2-oxo-2-(3-phenylmethoxyanilino)ethyl]piperidine-4-carboxylate
CID 54837787
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 34874597
N-[3,5-bis[(3-carbamimidoylphenyl)methoxy]phenyl]cyclohexanecarboxamide
CID 91252254
4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55993380
4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55721690
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55900938
4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55765767
(4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836802

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-N-[3-[(4-phenylphenyl)methoxy]phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-carbamimidoyl-N-[3-[(4-phenylphenyl)methoxy]phenyl]piperidine-4-carboxamide;hydrochloride (CID 25224185) is 1-carbamimidoyl-N-[3-[(4-phenylphenyl)methoxy]phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-carbamimidoyl-N-[3-[(4-phenylphenyl)methoxy]phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-carbamimidoyl-N-[3-[(4-phenylphenyl)methoxy]phenyl]piperidine-4-carboxamide;hydrochloride is Cl.[H]/N=C(\N)N1CCC(C(=O)Nc2cccc(OCc3ccc(-c4ccccc4)cc3)c2)CC1.
What is the InChIKey of 1-carbamimidoyl-N-[3-[(4-phenylphenyl)methoxy]phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is YCIVUWSNTIGASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2.ClH/c27-26(28)30-15-13-22(14-16-30)25(31)29-23-7-4-8-24(17-23)32-18-19-9-11-21(12-10-19)20-5-2-1-3-6-20;/h1-12,17,22H,13-16,18H2,(H3,27,28)(H,29,31);1H.
What are the key properties of 1-carbamimidoyl-N-[3-[(4-phenylphenyl)methoxy]phenyl]piperidine-4-carboxamide;hydrochloride?
1-carbamimidoyl-N-[3-[(4-phenylphenyl)methoxy]phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 465.00 g/mol, XLogP of 4.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-N-[3-[(4-phenylphenyl)methoxy]phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 25224185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).