1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide

C20H29N3O2 — CID 119274102

IUPAC1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CCCCC1
InChIInChI=1S/C20H29N3O2/c21-20(11-3-1-4-12-20)19(25)22-15-16-7-9-17(10-8-16)18(24)23-13-5-2-6-14-23/h7-10H,1-6,11-15,21H2,(H,22,25)
InChIKeyVBCYEBMYQSSKHX-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.59
Rot. Bonds4

About 1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide

1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 119274102) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID119274102
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CCCCC1
InChIInChI=1S/C20H29N3O2/c21-20(11-3-1-4-12-20)19(25)22-15-16-7-9-17(10-8-16)18(24)23-13-5-2-6-14-23/h7-10H,1-6,11-15,21H2,(H,22,25)
InChIKeyVBCYEBMYQSSKHX-UHFFFAOYSA-N
XLogP2.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119694800
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119835798
1-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119867290
(3S)-1,3-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 125167077
4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
CID 119283610
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
(1S)-2,2-dichloro-1-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 51868895
1-amino-N-[(4-chlorophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119261680
N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744424
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
N',3,3-trimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738399

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide (CID 119274102) is 1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide is NC1(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CCCCC1.
What is the InChIKey of 1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is VBCYEBMYQSSKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c21-20(11-3-1-4-12-20)19(25)22-15-16-7-9-17(10-8-16)18(24)23-13-5-2-6-14-23/h7-10H,1-6,11-15,21H2,(H,22,25).
What are the key properties of 1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide?
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119274102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).