4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide

C21H27N3O2 — CID 119872345

IUPAC4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
SMILESNCc1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1
InChIInChI=1S/C21H27N3O2/c22-13-16-4-6-19(7-5-16)21(26)23-20-3-1-2-18(12-20)14-24-10-8-17(15-25)9-11-24/h1-7,12,17,25H,8-11,13-15,22H2,(H,23,26)
InChIKeyVJJPVSLONNOYKM-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.60
Rot. Bonds6

About 4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide

4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide (PubChem CID 119872345) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
PubChem CID119872345
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
SMILESNCc1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1
InChIInChI=1S/C21H27N3O2/c22-13-16-4-6-19(7-5-16)21(26)23-20-3-1-2-18(12-20)14-24-10-8-17(15-25)9-11-24/h1-7,12,17,25H,8-11,13-15,22H2,(H,23,26)
InChIKeyVJJPVSLONNOYKM-UHFFFAOYSA-N
XLogP2.60
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872361
2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 110921235
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide
CID 110921226
(2S)-2-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-methylbutanamide
CID 119872351
5-ethyl-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-oxazole-4-carboxamide
CID 84588040
1-[[3-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768003
1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 78901666
2-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-2-phenylacetamide;dihydrochloride
CID 119872304
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 109478335
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide
CID 71916687
3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283593
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methylamino)butanamide
CID 119872315

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide (CID 119872345) is 4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide is NCc1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide?
The InChIKey is VJJPVSLONNOYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c22-13-16-4-6-19(7-5-16)21(26)23-20-3-1-2-18(12-20)14-24-10-8-17(15-25)9-11-24/h1-7,12,17,25H,8-11,13-15,22H2,(H,23,26).
What are the key properties of 4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide?
4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 119872345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).