N-(1-phenylethyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride

C18H30ClN3O — CID 119933122

IUPACN-(1-phenylethyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
SMILESCCCN(CC(=O)NC(C)c1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-3-13-21(17-9-11-19-12-10-17)14-18(22)20-15(2)16-7-5-4-6-8-16;/h4-8,15,17,19H,3,9-14H2,1-2H3,(H,20,22);1H
InChIKeyWJRPRCMFBADMIF-UHFFFAOYSA-N
MW339.91 g/mol
LogP2.75
Rot. Bonds7

About N-(1-phenylethyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride

N-(1-phenylethyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride (PubChem CID 119933122) has the molecular formula C18H30ClN3O and a molecular weight of 339.91 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
PubChem CID119933122
Molecular FormulaC18H30ClN3O
Molecular Weight339.91 g/mol
Exact Mass339.21
IUPAC NameN-(1-phenylethyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
SMILESCCCN(CC(=O)NC(C)c1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-3-13-21(17-9-11-19-12-10-17)14-18(22)20-15(2)16-7-5-4-6-8-16;/h4-8,15,17,19H,3,9-14H2,1-2H3,(H,20,22);1H
InChIKeyWJRPRCMFBADMIF-UHFFFAOYSA-N
XLogP2.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.91
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 104979577
2-[piperidin-4-yl(propyl)amino]-N-(3-propan-2-ylphenyl)acetamide
CID 119932780
2-[propyl(pyrrolidin-3-yl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 63304562
1-phenyl-2-[piperidin-4-yl(propyl)amino]ethanone
CID 62031069
N-propan-2-yl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921653
N-(2-methylpropylcarbamoyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119932861
N-ethyl-N-phenyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 119932706
N-ethyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60807335
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119824337
2-[cyclohexyl(methyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 8004439
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 18088884

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride?
The IUPAC name of N-(1-phenylethyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride (CID 119933122) is N-(1-phenylethyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-(1-phenylethyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride?
The canonical SMILES for N-(1-phenylethyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride is CCCN(CC(=O)NC(C)c1ccccc1)C1CCNCC1.Cl.
What is the InChIKey of N-(1-phenylethyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride?
The InChIKey is WJRPRCMFBADMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.ClH/c1-3-13-21(17-9-11-19-12-10-17)14-18(22)20-15(2)16-7-5-4-6-8-16;/h4-8,15,17,19H,3,9-14H2,1-2H3,(H,20,22);1H.
What are the key properties of N-(1-phenylethyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride?
N-(1-phenylethyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride has a molecular weight of 339.91 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride is sourced from PubChem (CID 119933122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).