N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide

C20H30N2O — CID 119770278

IUPACN-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide
SMILESCc1ccccc1C1(CNC(=O)CC(C)C2CCNCC2)CC1
InChIInChI=1S/C20H30N2O/c1-15-5-3-4-6-18(15)20(9-10-20)14-22-19(23)13-16(2)17-7-11-21-12-8-17/h3-6,16-17,21H,7-14H2,1-2H3,(H,22,23)
InChIKeySMRJLOMVMOFLDQ-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.17
Rot. Bonds6

About N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide

N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide (PubChem CID 119770278) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide
PubChem CID119770278
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC NameN-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide
SMILESCc1ccccc1C1(CNC(=O)CC(C)C2CCNCC2)CC1
InChIInChI=1S/C20H30N2O/c1-15-5-3-4-6-18(15)20(9-10-20)14-22-19(23)13-16(2)17-7-11-21-12-8-17/h3-6,16-17,21H,7-14H2,1-2H3,(H,22,23)
InChIKeySMRJLOMVMOFLDQ-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.17
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-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119756896
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769962
N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide
CID 119742942
2-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119315817
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
CID 119749830
N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
CID 119737978
N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119781349
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide (CID 119770278) is N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide is Cc1ccccc1C1(CNC(=O)CC(C)C2CCNCC2)CC1.
What is the InChIKey of N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide?
The InChIKey is SMRJLOMVMOFLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-15-5-3-4-6-18(15)20(9-10-20)14-22-19(23)13-16(2)17-7-11-21-12-8-17/h3-6,16-17,21H,7-14H2,1-2H3,(H,22,23).
What are the key properties of N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide?
N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide has a molecular weight of 314.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119770278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).