2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride

C20H32ClN3O2 — CID 119780279

IUPAC2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride
SMILESCc1cc(NC(=O)CC(C)C2CCNCC2)ccc1C(=O)NC(C)C.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-13(2)22-20(25)18-6-5-17(11-15(18)4)23-19(24)12-14(3)16-7-9-21-10-8-16;/h5-6,11,13-14,16,21H,7-10,12H2,1-4H3,(H,22,25)(H,23,24);1H
InChIKeyBOOJIRKEFGOHAT-UHFFFAOYSA-N
MW381.95 g/mol
LogP3.52
Rot. Bonds6

About 2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride

2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride (PubChem CID 119780279) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is 2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride
PubChem CID119780279
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC Name2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride
SMILESCc1cc(NC(=O)CC(C)C2CCNCC2)ccc1C(=O)NC(C)C.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-13(2)22-20(25)18-6-5-17(11-15(18)4)23-19(24)12-14(3)16-7-9-21-10-8-16;/h5-6,11,13-14,16,21H,7-10,12H2,1-4H3,(H,22,25)(H,23,24);1H
InChIKeyBOOJIRKEFGOHAT-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride with MolForge

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Related Compounds

methyl 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzoate;hydrochloride
CID 119775418
2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119775199
N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119802609
3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
CID 119743545
2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
CID 119771549
4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
CID 119713086
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
N-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide
CID 119689561
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide
CID 119670842
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119725781

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride?
The IUPAC name of 2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride (CID 119780279) is 2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride?
The canonical SMILES for 2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride is Cc1cc(NC(=O)CC(C)C2CCNCC2)ccc1C(=O)NC(C)C.Cl.
What is the InChIKey of 2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride?
The InChIKey is BOOJIRKEFGOHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.ClH/c1-13(2)22-20(25)18-6-5-17(11-15(18)4)23-19(24)12-14(3)16-7-9-21-10-8-16;/h5-6,11,13-14,16,21H,7-10,12H2,1-4H3,(H,22,25)(H,23,24);1H.
What are the key properties of 2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride?
2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 119780279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).