N-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

C17H27N2O+ — CID 7343858

IUPACN-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
SMILESCc1ccc(NC(=O)CC[NH+]2CCC[C@H](C)C2)cc1C
InChIInChI=1S/C17H26N2O/c1-13-5-4-9-19(12-13)10-8-17(20)18-16-7-6-14(2)15(3)11-16/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,18,20)/p+1/t13-/m0/s1
InChIKeyRPJFNFDSXZJZPX-ZDUSSCGKSA-O
MW275.42 g/mol
LogP1.95
Rot. Bonds4

About N-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

N-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide (PubChem CID 7343858) has the molecular formula C17H27N2O+ and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
PubChem CID7343858
Molecular FormulaC17H27N2O+
Molecular Weight275.42 g/mol
Exact Mass275.21
IUPAC NameN-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
SMILESCc1ccc(NC(=O)CC[NH+]2CCC[C@H](C)C2)cc1C
InChIInChI=1S/C17H26N2O/c1-13-5-4-9-19(12-13)10-8-17(20)18-16-7-6-14(2)15(3)11-16/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,18,20)/p+1/t13-/m0/s1
InChIKeyRPJFNFDSXZJZPX-ZDUSSCGKSA-O
XLogP1.95
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7334604
N-(3,4-dimethylphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 4742128
N-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 6937838
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7431880
N-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide
CID 4742378
N-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide
CID 3421987
N-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 6941455
N-(4-acetamidophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903579
3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-[3-(3-methylpiperidin-1-ium-1-yl)propyl]thiourea
CID 4257416
N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697923
3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide
CID 7343528
N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681839

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide (CID 7343858) is N-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide is Cc1ccc(NC(=O)CC[NH+]2CCC[C@H](C)C2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide?
The InChIKey is RPJFNFDSXZJZPX-ZDUSSCGKSA-O. The full InChI is InChI=1S/C17H26N2O/c1-13-5-4-9-19(12-13)10-8-17(20)18-16-7-6-14(2)15(3)11-16/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,18,20)/p+1/t13-/m0/s1.
What are the key properties of N-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide?
N-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide has a molecular weight of 275.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide is sourced from PubChem (CID 7343858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).