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

C25H35N3O — CID 99953059

IUPACN-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESCCN(CC)Cc1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1
InChIInChI=1S/C25H35N3O/c1-4-27(5-2)18-22-10-14-24(15-11-22)26-25(29)23-12-8-21(9-13-23)19-28-16-6-7-20(3)17-28/h8-15,20H,4-7,16-19H2,1-3H3,(H,26,29)/t20-/m0/s1
InChIKeyROFPHRSGGILNNN-FQEVSTJZSA-N
MW393.58 g/mol
LogP5.01
Rot. Bonds8

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

N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide (PubChem CID 99953059) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
PubChem CID99953059
Molecular FormulaC25H35N3O
Molecular Weight393.58 g/mol
Exact Mass393.28
IUPAC NameN-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
SMILESCCN(CC)Cc1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1
InChIInChI=1S/C25H35N3O/c1-4-27(5-2)18-22-10-14-24(15-11-22)26-25(29)23-12-8-21(9-13-23)19-28-16-6-7-20(3)17-28/h8-15,20H,4-7,16-19H2,1-3H3,(H,26,29)/t20-/m0/s1
InChIKeyROFPHRSGGILNNN-FQEVSTJZSA-N
XLogP5.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.58
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490429
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92683111
N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283469
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 55729046
3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119845030
N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490404
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide
CID 93490121
4-[(3-methylpiperidin-1-yl)methyl]-N-prop-2-enylbenzamide
CID 43918543
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
N-(2-ethylpyrazol-3-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 95134634

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The IUPAC name of N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide (CID 99953059) is N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide is CCN(CC)Cc1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1.
What is the InChIKey of N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
The InChIKey is ROFPHRSGGILNNN-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H35N3O/c1-4-27(5-2)18-22-10-14-24(15-11-22)26-25(29)23-12-8-21(9-13-23)19-28-16-6-7-20(3)17-28/h8-15,20H,4-7,16-19H2,1-3H3,(H,26,29)/t20-/m0/s1.
What are the key properties of N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide?
N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide has a molecular weight of 393.58 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 99953059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).