1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide

C21H30N4O2 — CID 119853084

IUPAC1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cccc(NC(=O)C3C4CCC(C4)C3N)c2)CC1
InChIInChI=1S/C21H30N4O2/c22-19-16-5-4-15(11-16)18(19)21(27)24-17-3-1-2-13(10-17)12-25-8-6-14(7-9-25)20(23)26/h1-3,10,14-16,18-19H,4-9,11-12,22H2,(H2,23,26)(H,24,27)
InChIKeyGUCROJUOSARLOL-UHFFFAOYSA-N
MW370.50 g/mol
LogP1.70
Rot. Bonds5

About 1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide

1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 119853084) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
PubChem CID119853084
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cccc(NC(=O)C3C4CCC(C4)C3N)c2)CC1
InChIInChI=1S/C21H30N4O2/c22-19-16-5-4-15(11-16)18(19)21(27)24-17-3-1-2-13(10-17)12-25-8-6-14(7-9-25)20(23)26/h1-3,10,14-16,18-19H,4-9,11-12,22H2,(H2,23,26)(H,24,27)
InChIKeyGUCROJUOSARLOL-UHFFFAOYSA-N
XLogP1.70
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

3-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119902582
3-amino-N-[3-(methylsulfonylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119756848
3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119899019
1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 78901666
1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
CID 71941024
3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119819374
methyl 2-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methylsulfanyl]acetate;hydrochloride
CID 119775532
1-[[3-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768003
1-[[3-[[(2R,3R)-3-propan-2-yloxolane-2-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 126801421
1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853105
3-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119722895
1-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853121

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide (CID 119853084) is 1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2cccc(NC(=O)C3C4CCC(C4)C3N)c2)CC1.
What is the InChIKey of 1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is GUCROJUOSARLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c22-19-16-5-4-15(11-16)18(19)21(27)24-17-3-1-2-13(10-17)12-25-8-6-14(7-9-25)20(23)26/h1-3,10,14-16,18-19H,4-9,11-12,22H2,(H2,23,26)(H,24,27).
What are the key properties of 1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide?
1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119853084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).