1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide

C17H26N4O2 — CID 119872107

IUPAC1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
SMILESCC(C)(N)C(=O)Nc1ccc(CN2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C17H26N4O2/c1-17(2,19)16(23)20-14-7-5-12(6-8-14)10-21-9-3-4-13(11-21)15(18)22/h5-8,13H,3-4,9-11,19H2,1-2H3,(H2,18,22)(H,20,23)
InChIKeyUGKRIFOPACQZFG-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.06
Rot. Bonds5

About 1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide

1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 119872107) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
PubChem CID119872107
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
SMILESCC(C)(N)C(=O)Nc1ccc(CN2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C17H26N4O2/c1-17(2,19)16(23)20-14-7-5-12(6-8-14)10-21-9-3-4-13(11-21)15(18)22/h5-8,13H,3-4,9-11,19H2,1-2H3,(H2,18,22)(H,20,23)
InChIKeyUGKRIFOPACQZFG-UHFFFAOYSA-N
XLogP1.06
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163
1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872164
1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872095
1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56509542
2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79813584
(3R)-1-[[4-(dimethylamino)phenyl]methyl]piperidine-3-carboxamide
CID 26458213
6-tert-butyl-N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide
CID 56508501
1-[[4-[(4-methoxypiperidine-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872151
1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506760
1-[[4-[(2-amino-3-phenylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872112
1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56507529
1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 120645895

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide (CID 119872107) is 1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide is CC(C)(N)C(=O)Nc1ccc(CN2CCCC(C(N)=O)C2)cc1.
What is the InChIKey of 1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is UGKRIFOPACQZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-17(2,19)16(23)20-14-7-5-12(6-8-14)10-21-9-3-4-13(11-21)15(18)22/h5-8,13H,3-4,9-11,19H2,1-2H3,(H2,18,22)(H,20,23).
What are the key properties of 1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide?
1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119872107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).