N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide

C21H31N3O3 — CID 136524004

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
SMILESCC(=O)N1CCC(CNC(=O)N2CCC(OCc3ccccc3)CC2)CC1
InChIInChI=1S/C21H31N3O3/c1-17(25)23-11-7-18(8-12-23)15-22-21(26)24-13-9-20(10-14-24)27-16-19-5-3-2-4-6-19/h2-6,18,20H,7-16H2,1H3,(H,22,26)
InChIKeyKCSLDAMZJZDXKY-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.64
Rot. Bonds5

About N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide

N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide (PubChem CID 136524004) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
PubChem CID136524004
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
SMILESCC(=O)N1CCC(CNC(=O)N2CCC(OCc3ccccc3)CC2)CC1
InChIInChI=1S/C21H31N3O3/c1-17(25)23-11-7-18(8-12-23)15-22-21(26)24-13-9-20(10-14-24)27-16-19-5-3-2-4-6-19/h2-6,18,20H,7-16H2,1H3,(H,22,26)
InChIKeyKCSLDAMZJZDXKY-UHFFFAOYSA-N
XLogP2.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
(3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide
CID 164638463
N-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 87003686
4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide
CID 91918376
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 118764730
4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 121499174
4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 122559036
4-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-[(3-phenylmethoxycyclobutyl)methyl]piperazine-1-carboxamide
CID 166285101
4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672848
N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 110736135
2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 78828531

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide (CID 136524004) is N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide is CC(=O)N1CCC(CNC(=O)N2CCC(OCc3ccccc3)CC2)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide?
The InChIKey is KCSLDAMZJZDXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-17(25)23-11-7-18(8-12-23)15-22-21(26)24-13-9-20(10-14-24)27-16-19-5-3-2-4-6-19/h2-6,18,20H,7-16H2,1H3,(H,22,26).
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide?
N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide is sourced from PubChem (CID 136524004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).