N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride

C20H32ClN3O2 — CID 119725781

IUPACN-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-13(2)20(25)22-17-6-5-14(3)18(12-17)23-19(24)11-15(4)16-7-9-21-10-8-16;/h5-6,12-13,15-16,21H,7-11H2,1-4H3,(H,22,25)(H,23,24);1H
InChIKeySOJWBCYTIJBKOS-UHFFFAOYSA-N
MW381.95 g/mol
LogP3.98
Rot. Bonds6

About N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119725781) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119725781
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC NameN-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-13(2)20(25)22-17-6-5-14(3)18(12-17)23-19(24)11-15(4)16-7-9-21-10-8-16;/h5-6,12-13,15-16,21H,7-11H2,1-4H3,(H,22,25)(H,23,24);1H
InChIKeySOJWBCYTIJBKOS-UHFFFAOYSA-N
XLogP3.98
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide
CID 119780736
2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
CID 119771549
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119725791
N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide
CID 119672088
N-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide
CID 119689561
N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119725834
methyl 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzoate;hydrochloride
CID 119775418
N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide
CID 119670842
N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119802609
2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119775199
2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride
CID 119780279
N-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide
CID 119668964

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119725781) is N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)CC(C)C1CCNCC1.Cl.
What is the InChIKey of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is SOJWBCYTIJBKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.ClH/c1-13(2)20(25)22-17-6-5-14(3)18(12-17)23-19(24)11-15(4)16-7-9-21-10-8-16;/h5-6,12-13,15-16,21H,7-11H2,1-4H3,(H,22,25)(H,23,24);1H.
What are the key properties of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119725781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).