N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide

C21H25N3O2 — CID 38105189

IUPACN-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESC[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)C1
InChIInChI=1S/C21H25N3O2/c1-15-3-2-12-24(13-15)14-16-4-6-18(7-5-16)21(26)23-19-10-8-17(9-11-19)20(22)25/h4-11,15H,2-3,12-14H2,1H3,(H2,22,25)(H,23,26)/t15-/m0/s1
InChIKeyKSPMDVQPGYPITA-HNNXBMFYSA-N
MW351.45 g/mol
LogP3.27
Rot. Bonds5

About N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide

N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide (PubChem CID 38105189) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
PubChem CID38105189
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESC[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)C1
InChIInChI=1S/C21H25N3O2/c1-15-3-2-12-24(13-15)14-16-4-6-18(7-5-16)21(26)23-19-10-8-17(9-11-19)20(22)25/h4-11,15H,2-3,12-14H2,1H3,(H2,22,25)(H,23,26)/t15-/m0/s1
InChIKeyKSPMDVQPGYPITA-HNNXBMFYSA-N
XLogP3.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99953059
N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490429
N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283469
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 55729046
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92683111
3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119845030
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490404
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-nitrophenyl)benzamide
CID 93491882
1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56509542
4-[(3-methylpiperidin-1-yl)methyl]-N-prop-2-enylbenzamide
CID 43918543

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The IUPAC name of N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide (CID 38105189) is N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide is C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)C1.
What is the InChIKey of N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The InChIKey is KSPMDVQPGYPITA-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-3-2-12-24(13-15)14-16-4-6-18(7-5-16)21(26)23-19-10-8-17(9-11-19)20(22)25/h4-11,15H,2-3,12-14H2,1H3,(H2,22,25)(H,23,26)/t15-/m0/s1.
What are the key properties of N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 38105189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).