N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide

C16H23N3O2 — CID 102735859

IUPACN-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2cccc(CN)c2)CC1
InChIInChI=1S/C16H23N3O2/c1-12(20)18-11-13-5-7-19(8-6-13)16(21)15-4-2-3-14(9-15)10-17/h2-4,9,13H,5-8,10-11,17H2,1H3,(H,18,20)
InChIKeyQEJRFVLXRLCREA-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.13
Rot. Bonds4

About N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide

N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide (PubChem CID 102735859) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide
PubChem CID102735859
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2cccc(CN)c2)CC1
InChIInChI=1S/C16H23N3O2/c1-12(20)18-11-13-5-7-19(8-6-13)16(21)15-4-2-3-14(9-15)10-17/h2-4,9,13H,5-8,10-11,17H2,1H3,(H,18,20)
InChIKeyQEJRFVLXRLCREA-UHFFFAOYSA-N
XLogP1.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide
CID 103956700
N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide
CID 102739429
[3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622383
[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 102978293
N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide
CID 103754890
[3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 61439888
[3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 154911472
methyl 3-[4-(aminomethyl)piperidine-1-carbonyl]benzoate
CID 176515172
[3-(aminomethyl)phenyl]-(3-ethylpiperidin-1-yl)methanone
CID 43584058
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
[3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584943
[3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone
CID 62594027

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide (CID 102735859) is N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)c2cccc(CN)c2)CC1.
What is the InChIKey of N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is QEJRFVLXRLCREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(20)18-11-13-5-7-19(8-6-13)16(21)15-4-2-3-14(9-15)10-17/h2-4,9,13H,5-8,10-11,17H2,1H3,(H,18,20).
What are the key properties of N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102735859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).