4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide

C17H27N3O — CID 106640797

IUPAC4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide
SMILESCCCN(Cc1ccc(C(N)=O)cc1)CC1CCCNC1
InChIInChI=1S/C17H27N3O/c1-2-10-20(13-15-4-3-9-19-11-15)12-14-5-7-16(8-6-14)17(18)21/h5-8,15,19H,2-4,9-13H2,1H3,(H2,18,21)
InChIKeyCVLBHJUJKHETIJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.00
Rot. Bonds7

About 4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide

4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide (PubChem CID 106640797) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide
PubChem CID106640797
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide
SMILESCCCN(Cc1ccc(C(N)=O)cc1)CC1CCCNC1
InChIInChI=1S/C17H27N3O/c1-2-10-20(13-15-4-3-9-19-11-15)12-14-5-7-16(8-6-14)17(18)21/h5-8,15,19H,2-4,9-13H2,1H3,(H2,18,21)
InChIKeyCVLBHJUJKHETIJ-UHFFFAOYSA-N
XLogP2.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625448
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106625307
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
N-[(4-methoxy-3-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625212
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625257
4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide
CID 63583220
(3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128806
N-[[3-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625184
N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625380
4-chloro-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
CID 106625458

Frequently Asked Questions

What is the IUPAC name of 4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide?
The IUPAC name of 4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide (CID 106640797) is 4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide?
The canonical SMILES for 4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide is CCCN(Cc1ccc(C(N)=O)cc1)CC1CCCNC1.
What is the InChIKey of 4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide?
The InChIKey is CVLBHJUJKHETIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-10-20(13-15-4-3-9-19-11-15)12-14-5-7-16(8-6-14)17(18)21/h5-8,15,19H,2-4,9-13H2,1H3,(H2,18,21).
What are the key properties of 4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide?
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide is sourced from PubChem (CID 106640797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).