N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide

C19H30N2O2 — CID 119802609

IUPACN-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide
SMILESCc1cc(NC(=O)CC(C)C2CCNCC2)ccc1OC(C)C
InChIInChI=1S/C19H30N2O2/c1-13(2)23-18-6-5-17(11-15(18)4)21-19(22)12-14(3)16-7-9-20-10-8-16/h5-6,11,13-14,16,20H,7-10,12H2,1-4H3,(H,21,22)
InChIKeyFZWJSMYTEAEKOV-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.75
Rot. Bonds6

About N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide

N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide (PubChem CID 119802609) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide
PubChem CID119802609
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide
SMILESCc1cc(NC(=O)CC(C)C2CCNCC2)ccc1OC(C)C
InChIInChI=1S/C19H30N2O2/c1-13(2)23-18-6-5-17(11-15(18)4)21-19(22)12-14(3)16-7-9-20-10-8-16/h5-6,11,13-14,16,20H,7-10,12H2,1-4H3,(H,21,22)
InChIKeyFZWJSMYTEAEKOV-UHFFFAOYSA-N
XLogP3.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119775199
methyl 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzoate;hydrochloride
CID 119775418
N-(3-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 98034216
2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride
CID 119780279
2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
CID 119771549
N-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide
CID 119689561
N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide
CID 119670842
2-(cyclopropylmethylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 119802601
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119717532
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide?
The IUPAC name of N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide (CID 119802609) is N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide is Cc1cc(NC(=O)CC(C)C2CCNCC2)ccc1OC(C)C.
What is the InChIKey of N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide?
The InChIKey is FZWJSMYTEAEKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-13(2)23-18-6-5-17(11-15(18)4)21-19(22)12-14(3)16-7-9-20-10-8-16/h5-6,11,13-14,16,20H,7-10,12H2,1-4H3,(H,21,22).
What are the key properties of N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide?
N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide has a molecular weight of 318.46 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119802609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).