N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride

C20H30Cl2N2O — CID 119769948

IUPACN-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC1(c2ccc(Cl)cc2)CCC1)C1CCCNC1.Cl
InChIInChI=1S/C20H29ClN2O.ClH/c1-15(16-4-2-11-22-13-16)12-19(24)23-14-20(9-3-10-20)17-5-7-18(21)8-6-17;/h5-8,15-16,22H,2-4,9-14H2,1H3,(H,23,24);1H
InChIKeyCHHBRRJYBPVOQB-UHFFFAOYSA-N
MW385.38 g/mol
LogP4.33
Rot. Bonds6

About N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119769948) has the molecular formula C20H30Cl2N2O and a molecular weight of 385.38 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119769948
Molecular FormulaC20H30Cl2N2O
Molecular Weight385.38 g/mol
Exact Mass384.17
IUPAC NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC1(c2ccc(Cl)cc2)CCC1)C1CCCNC1.Cl
InChIInChI=1S/C20H29ClN2O.ClH/c1-15(16-4-2-11-22-13-16)12-19(24)23-14-20(9-3-10-20)17-5-7-18(21)8-6-17;/h5-8,15-16,22H,2-4,9-14H2,1H3,(H,23,24);1H
InChIKeyCHHBRRJYBPVOQB-UHFFFAOYSA-N
XLogP4.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide
CID 119761175
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769962
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119772684
N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide
CID 119690043
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119830098
N-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide
CID 119788862
N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119782234
N-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119730060
N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705537
N-[1-(4-fluorophenyl)cyclopentyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119752707
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide
CID 119812115

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119769948) is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NCC1(c2ccc(Cl)cc2)CCC1)C1CCCNC1.Cl.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is CHHBRRJYBPVOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O.ClH/c1-15(16-4-2-11-22-13-16)12-19(24)23-14-20(9-3-10-20)17-5-7-18(21)8-6-17;/h5-8,15-16,22H,2-4,9-14H2,1H3,(H,23,24);1H.
What are the key properties of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 385.38 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119769948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).