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

C20H30Cl2N2O — CID 119769962

IUPACN-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC1(c2ccc(Cl)cc2)CCC1)C1CCNCC1.Cl
InChIInChI=1S/C20H29ClN2O.ClH/c1-15(16-7-11-22-12-8-16)13-19(24)23-14-20(9-2-10-20)17-3-5-18(21)6-4-17;/h3-6,15-16,22H,2,7-14H2,1H3,(H,23,24);1H
InChIKeyQWYLZANREDVKMT-UHFFFAOYSA-N
MW385.38 g/mol
LogP4.33
Rot. Bonds6

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

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119769962) 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-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119769962
Molecular FormulaC20H30Cl2N2O
Molecular Weight385.38 g/mol
Exact Mass384.17
IUPAC NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC1(c2ccc(Cl)cc2)CCC1)C1CCNCC1.Cl
InChIInChI=1S/C20H29ClN2O.ClH/c1-15(16-7-11-22-12-8-16)13-19(24)23-14-20(9-2-10-20)17-3-5-18(21)6-4-17;/h3-6,15-16,22H,2,7-14H2,1H3,(H,23,24);1H
InChIKeyQWYLZANREDVKMT-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-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119772684
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769948
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide
CID 119761175
4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703424
N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119691370
N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide
CID 119770278
N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide
CID 119804655
N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide
CID 119691371
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119820386
N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119685524
2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide
CID 166404207
N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide
CID 119738720

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119769962) is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NCC1(c2ccc(Cl)cc2)CCC1)C1CCNCC1.Cl.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is QWYLZANREDVKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O.ClH/c1-15(16-7-11-22-12-8-16)13-19(24)23-14-20(9-2-10-20)17-3-5-18(21)6-4-17;/h3-6,15-16,22H,2,7-14H2,1H3,(H,23,24);1H.
What are the key properties of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-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-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119769962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).