3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide

C19H30N2O — CID 120554957

IUPAC3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide
SMILESCC1CNCCC1NC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H30N2O/c1-14-13-20-12-11-17(14)21-18(22)10-7-15-5-8-16(9-6-15)19(2,3)4/h5-6,8-9,14,17,20H,7,10-13H2,1-4H3,(H,21,22)
InChIKeyDHIVCUBICSROJA-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.03
Rot. Bonds4

About 3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide

3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide (PubChem CID 120554957) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide
PubChem CID120554957
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide
SMILESCC1CNCCC1NC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H30N2O/c1-14-13-20-12-11-17(14)21-18(22)10-7-15-5-8-16(9-6-15)19(2,3)4/h5-6,8-9,14,17,20H,7,10-13H2,1-4H3,(H,21,22)
InChIKeyDHIVCUBICSROJA-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553300
N-(3-methylpiperidin-4-yl)-3-naphthalen-2-ylpropanamide;hydrochloride
CID 120554205
3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554616
3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556745
N-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide
CID 120553171
N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride
CID 120553973
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
CID 120555617
N-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
CID 120555490
3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553265
3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120555813
N-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide
CID 120554516

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide (CID 120554957) is 3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide is CC1CNCCC1NC(=O)CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide?
The InChIKey is DHIVCUBICSROJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-14-13-20-12-11-17(14)21-18(22)10-7-15-5-8-16(9-6-15)19(2,3)4/h5-6,8-9,14,17,20H,7,10-13H2,1-4H3,(H,21,22).
What are the key properties of 3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide?
3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide has a molecular weight of 302.46 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 120554957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).