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

C19H28Cl2N2O — CID 119772684

IUPACN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC1(c2ccc(Cl)cc2)CC1)C1CCNCC1.Cl
InChIInChI=1S/C19H27ClN2O.ClH/c1-14(15-6-10-21-11-7-15)12-18(23)22-13-19(8-9-19)16-2-4-17(20)5-3-16;/h2-5,14-15,21H,6-13H2,1H3,(H,22,23);1H
InChIKeyALGJDPAPGDPDCZ-UHFFFAOYSA-N
MW371.35 g/mol
LogP3.94
Rot. Bonds6

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

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119772684) has the molecular formula C19H28Cl2N2O and a molecular weight of 371.35 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119772684
Molecular FormulaC19H28Cl2N2O
Molecular Weight371.35 g/mol
Exact Mass370.16
IUPAC NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC1(c2ccc(Cl)cc2)CC1)C1CCNCC1.Cl
InChIInChI=1S/C19H27ClN2O.ClH/c1-14(15-6-10-21-11-7-15)12-18(23)22-13-19(8-9-19)16-2-4-17(20)5-3-16;/h2-5,14-15,21H,6-13H2,1H3,(H,22,23);1H
InChIKeyALGJDPAPGDPDCZ-UHFFFAOYSA-N
XLogP3.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769962
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769948
N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide
CID 119770278
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-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide
CID 119804655
N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide
CID 119691371
N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119685524
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide
CID 119761175
N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide
CID 119738720
N-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119813601
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673989

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119772684) is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NCC1(c2ccc(Cl)cc2)CC1)C1CCNCC1.Cl.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is ALGJDPAPGDPDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O.ClH/c1-14(15-6-10-21-11-7-15)12-18(23)22-13-19(8-9-19)16-2-4-17(20)5-3-16;/h2-5,14-15,21H,6-13H2,1H3,(H,22,23);1H.
What are the key properties of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 371.35 g/mol, XLogP of 3.94, 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)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119772684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).