N-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride

C22H35ClN2O — CID 119771595

IUPACN-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(CCc1ccccc1)C1CCCC1)C1CCNCC1.Cl
InChIInChI=1S/C22H34N2O.ClH/c1-18(20-11-14-23-15-12-20)17-22(25)24(21-9-5-6-10-21)16-13-19-7-3-2-4-8-19;/h2-4,7-8,18,20-21,23H,5-6,9-17H2,1H3;1H
InChIKeyHMDYLQBKIVMAAI-UHFFFAOYSA-N
MW378.99 g/mol
LogP4.45
Rot. Bonds7

About N-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride

N-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119771595) has the molecular formula C22H35ClN2O and a molecular weight of 378.99 g/mol. Its IUPAC name is N-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119771595
Molecular FormulaC22H35ClN2O
Molecular Weight378.99 g/mol
Exact Mass378.24
IUPAC NameN-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(CCc1ccccc1)C1CCCC1)C1CCNCC1.Cl
InChIInChI=1S/C22H34N2O.ClH/c1-18(20-11-14-23-15-12-20)17-22(25)24(21-9-5-6-10-21)16-13-19-7-3-2-4-8-19;/h2-4,7-8,18,20-21,23H,5-6,9-17H2,1H3;1H
InChIKeyHMDYLQBKIVMAAI-UHFFFAOYSA-N
XLogP4.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.99
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-(cyclobutylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119752557
N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119857579
N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 99946333
N-cyclopentyl-N-(2-phenylethyl)-3-propan-2-yloxypropanamide
CID 78860123
N-cyclopentyl-N-(2-phenylethyl)butanamide
CID 78853681
3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119824337
N-cyclopentyl-2-(methylamino)-N-(2-phenylethyl)acetamide
CID 119771582
N-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide
CID 119783037
N-(cyclopropylmethyl)-N-phenyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119810163
N-cyclopropyl-N-ethyl-3-piperidin-4-ylbutanamide
CID 119718930
N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide
CID 119799552
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119746206

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119771595) is N-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)N(CCc1ccccc1)C1CCCC1)C1CCNCC1.Cl.
What is the InChIKey of N-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is HMDYLQBKIVMAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O.ClH/c1-18(20-11-14-23-15-12-20)17-22(25)24(21-9-5-6-10-21)16-13-19-7-3-2-4-8-19;/h2-4,7-8,18,20-21,23H,5-6,9-17H2,1H3;1H.
What are the key properties of N-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 378.99 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119771595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).