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

C20H31N3O2 — CID 119743545

IUPAC3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
SMILESCc1cc(C(=O)NC(C)C)ccc1NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C20H31N3O2/c1-13(2)22-20(25)17-5-6-18(15(4)11-17)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)
InChIKeyQRTYPVFGYDDETH-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.10
Rot. Bonds6

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

3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide (PubChem CID 119743545) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
PubChem CID119743545
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
SMILESCc1cc(C(=O)NC(C)C)ccc1NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C20H31N3O2/c1-13(2)22-20(25)17-5-6-18(15(4)11-17)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)
InChIKeyQRTYPVFGYDDETH-UHFFFAOYSA-N
XLogP3.10
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide
CID 119672088
2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride
CID 119780279
4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
CID 119713086
N-ethyl-3-methyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119714185
2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119775199
N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide
CID 119887755
3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide
CID 119808136
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
CID 119673990
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673989
N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119757165

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide (CID 119743545) is 3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide is Cc1cc(C(=O)NC(C)C)ccc1NC(=O)CC(C)C1CCNCC1.
What is the InChIKey of 3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide?
The InChIKey is QRTYPVFGYDDETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-13(2)22-20(25)17-5-6-18(15(4)11-17)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).
What are the key properties of 3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide?
3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide has a molecular weight of 345.49 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 119743545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).