3-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

C22H33N3O — CID 119845461

IUPAC3-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)C3C4CCC(C4)C3N)cc2)C1
InChIInChI=1S/C22H33N3O/c1-15-3-2-10-25(13-15)14-17-6-4-16(5-7-17)12-24-22(26)20-18-8-9-19(11-18)21(20)23/h4-7,15,18-21H,2-3,8-14,23H2,1H3,(H,24,26)
InChIKeyLIFFDLFAJPEQES-UHFFFAOYSA-N
MW355.53 g/mol
LogP2.91
Rot. Bonds5

About 3-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119845461) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 3-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119845461
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name3-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)C3C4CCC(C4)C3N)cc2)C1
InChIInChI=1S/C22H33N3O/c1-15-3-2-10-25(13-15)14-17-6-4-16(5-7-17)12-24-22(26)20-18-8-9-19(11-18)21(20)23/h4-7,15,18-21H,2-3,8-14,23H2,1H3,(H,24,26)
InChIKeyLIFFDLFAJPEQES-UHFFFAOYSA-N
XLogP2.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103808876
3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119716916
1-[(4-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917349
3-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119694814
1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845495
1-[(4-bromophenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917763
3-amino-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119675800
2-ethyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 60556525
methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
3-amino-N-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119716369
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119845510
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119845461) is 3-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is CC1CCCN(Cc2ccc(CNC(=O)C3C4CCC(C4)C3N)cc2)C1.
What is the InChIKey of 3-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is LIFFDLFAJPEQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-15-3-2-10-25(13-15)14-17-6-4-16(5-7-17)12-24-22(26)20-18-8-9-19(11-18)21(20)23/h4-7,15,18-21H,2-3,8-14,23H2,1H3,(H,24,26).
What are the key properties of 3-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 355.53 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119845461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).