1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide

C21H33N3O — CID 119845495

IUPAC1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)C3(N)CCCCC3)cc2)C1
InChIInChI=1S/C21H33N3O/c1-17-6-5-13-24(15-17)16-19-9-7-18(8-10-19)14-23-20(25)21(22)11-3-2-4-12-21/h7-10,17H,2-6,11-16,22H2,1H3,(H,23,25)
InChIKeyOFDBXRSOEUEZBP-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.20
Rot. Bonds5

About 1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide

1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 119845495) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is 1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID119845495
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)C3(N)CCCCC3)cc2)C1
InChIInChI=1S/C21H33N3O/c1-17-6-5-13-24(15-17)16-19-9-7-18(8-10-19)14-23-20(25)21(22)11-3-2-4-12-21/h7-10,17H,2-6,11-16,22H2,1H3,(H,23,25)
InChIKeyOFDBXRSOEUEZBP-UHFFFAOYSA-N
XLogP3.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845563
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
2-ethyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 60556525
1-[(4-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917349
1-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 71865034
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 92682170
methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 87018008
3-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119845461
1-[(4-bromophenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917763
4-[(3-methylpiperidin-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46775851

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide (CID 119845495) is 1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide is CC1CCCN(Cc2ccc(CNC(=O)C3(N)CCCCC3)cc2)C1.
What is the InChIKey of 1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is OFDBXRSOEUEZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-17-6-5-13-24(15-17)16-19-9-7-18(8-10-19)14-23-20(25)21(22)11-3-2-4-12-21/h7-10,17H,2-6,11-16,22H2,1H3,(H,23,25).
What are the key properties of 1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide?
1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 343.51 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119845495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).