N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride

C23H31ClN2O2 — CID 119712153

IUPACN-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCc1ccc(OCc2ccccc2)cc1)C1CCCNC1.Cl
InChIInChI=1S/C23H30N2O2.ClH/c1-18(21-8-5-13-24-16-21)14-23(26)25-15-19-9-11-22(12-10-19)27-17-20-6-3-2-4-7-20;/h2-4,6-7,9-12,18,21,24H,5,8,13-17H2,1H3,(H,25,26);1H
InChIKeyPKYVCPDJEKFKIS-UHFFFAOYSA-N
MW402.97 g/mol
LogP4.33
Rot. Bonds8

About N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119712153) has the molecular formula C23H31ClN2O2 and a molecular weight of 402.97 g/mol. Its IUPAC name is N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119712153
Molecular FormulaC23H31ClN2O2
Molecular Weight402.97 g/mol
Exact Mass402.21
IUPAC NameN-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCc1ccc(OCc2ccccc2)cc1)C1CCCNC1.Cl
InChIInChI=1S/C23H30N2O2.ClH/c1-18(21-8-5-13-24-16-21)14-23(26)25-15-19-9-11-22(12-10-19)27-17-20-6-3-2-4-7-20;/h2-4,6-7,9-12,18,21,24H,5,8,13-17H2,1H3,(H,25,26);1H
InChIKeyPKYVCPDJEKFKIS-UHFFFAOYSA-N
XLogP4.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.97
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119283165
ethyl 4-[(3-piperidin-3-ylbutanoylamino)methyl]benzoate;hydrochloride
CID 119746508
3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119730353
4-phenylmethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119473948
N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705537
N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119739682
N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119723676
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119847444
3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714575
3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731383
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119712153) is N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NCc1ccc(OCc2ccccc2)cc1)C1CCCNC1.Cl.
What is the InChIKey of N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is PKYVCPDJEKFKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2.ClH/c1-18(21-8-5-13-24-16-21)14-23(26)25-15-19-9-11-22(12-10-19)27-17-20-6-3-2-4-7-20;/h2-4,6-7,9-12,18,21,24H,5,8,13-17H2,1H3,(H,25,26);1H.
What are the key properties of N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 402.97 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119712153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).