1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride

C19H30Cl2N4O2 — CID 119870586

IUPAC1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1CCN(c2ccccc2NC(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C19H28N4O2.2ClH/c20-15-5-3-4-14(12-15)19(25)22-16-6-1-2-7-17(16)23-10-8-13(9-11-23)18(21)24;;/h1-2,6-7,13-15H,3-5,8-12,20H2,(H2,21,24)(H,22,25);2*1H
InChIKeyLIRUTSIZWMBDKY-UHFFFAOYSA-N
MW417.38 g/mol
LogP2.69
Rot. Bonds4

About 1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride

1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 119870586) has the molecular formula C19H30Cl2N4O2 and a molecular weight of 417.38 g/mol. Its IUPAC name is 1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID119870586
Molecular FormulaC19H30Cl2N4O2
Molecular Weight417.38 g/mol
Exact Mass416.17
IUPAC Name1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1CCN(c2ccccc2NC(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C19H28N4O2.2ClH/c20-15-5-3-4-14(12-15)19(25)22-16-6-1-2-7-17(16)23-10-8-13(9-11-23)18(21)24;;/h1-2,6-7,13-15H,3-5,8-12,20H2,(H2,21,24)(H,22,25);2*1H
InChIKeyLIRUTSIZWMBDKY-UHFFFAOYSA-N
XLogP2.69
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide
CID 119870587
1-[2-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-4-carboxamide;hydrochloride
CID 119718652
1-N,3-N-bis(2-pyrrolidin-1-ylphenyl)cyclohexane-1,3-dicarboxamide
CID 60596479
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride
CID 119671192
3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119845961
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide
CID 63042139
3-amino-N-(5-bromo-2-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119833773
3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119704020
1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119870604
3-amino-N-[2-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 63044143
2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974434
3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119706959

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride (CID 119870586) is 1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride is Cl.Cl.NC(=O)C1CCN(c2ccccc2NC(=O)C2CCCC(N)C2)CC1.
What is the InChIKey of 1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is LIRUTSIZWMBDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.2ClH/c20-15-5-3-4-14(12-15)19(25)22-16-6-1-2-7-17(16)23-10-8-13(9-11-23)18(21)24;;/h1-2,6-7,13-15H,3-5,8-12,20H2,(H2,21,24)(H,22,25);2*1H.
What are the key properties of 1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride?
1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 417.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119870586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).