(3S,6S)-1-[3-(4-ethoxyphenyl)propanoyl]-6-methylpiperidine-3-carboxamide

C18H26N2O3 — CID 95584899

IUPAC(3S,6S)-1-[3-(4-ethoxyphenyl)propanoyl]-6-methylpiperidine-3-carboxamide
SMILESCCOc1ccc(CCC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1
InChIInChI=1S/C18H26N2O3/c1-3-23-16-9-5-14(6-10-16)7-11-17(21)20-12-15(18(19)22)8-4-13(20)2/h5-6,9-10,13,15H,3-4,7-8,11-12H2,1-2H3,(H2,19,22)/t13-,15-/m0/s1
InChIKeyISAMURLNPHLTLG-ZFWWWQNUSA-N
MW318.42 g/mol
LogP2.13
Rot. Bonds6

About (3S,6S)-1-[3-(4-ethoxyphenyl)propanoyl]-6-methylpiperidine-3-carboxamide

(3S,6S)-1-[3-(4-ethoxyphenyl)propanoyl]-6-methylpiperidine-3-carboxamide (PubChem CID 95584899) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3S,6S)-1-[3-(4-ethoxyphenyl)propanoyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6S)-1-[3-(4-ethoxyphenyl)propanoyl]-6-methylpiperidine-3-carboxamide
PubChem CID95584899
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(3S,6S)-1-[3-(4-ethoxyphenyl)propanoyl]-6-methylpiperidine-3-carboxamide
SMILESCCOc1ccc(CCC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1
InChIInChI=1S/C18H26N2O3/c1-3-23-16-9-5-14(6-10-16)7-11-17(21)20-12-15(18(19)22)8-4-13(20)2/h5-6,9-10,13,15H,3-4,7-8,11-12H2,1-2H3,(H2,19,22)/t13-,15-/m0/s1
InChIKeyISAMURLNPHLTLG-ZFWWWQNUSA-N
XLogP2.13
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide
CID 95584894
(3S,6R)-1-[2-[4-(cyanomethyl)phenoxy]acetyl]-6-methylpiperidine-3-carboxamide
CID 94482510
(2S,4S)-1-[3-(4-ethoxyphenyl)propanoyl]-4-methoxypyrrolidine-2-carboxamide
CID 128984129
3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
CID 112536917
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-ethoxyphenyl)propan-1-one;hydrochloride
CID 119467317
(3R,6S)-1-[2-(4-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 94200570
1-(3-aminopropanoyl)-6-methylpiperidine-3-carboxamide;hydrochloride
CID 119291566
ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate
CID 61067923
1-(5-chloropentanoyl)-6-methylpiperidine-3-carboxamide
CID 54875909
(2S,3S)-1-[3-(4-ethoxyphenyl)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122115501
1-[3-(4-ethoxyphenyl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118652
1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide
CID 79201154

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-1-[3-(4-ethoxyphenyl)propanoyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3S,6S)-1-[3-(4-ethoxyphenyl)propanoyl]-6-methylpiperidine-3-carboxamide (CID 95584899) is (3S,6S)-1-[3-(4-ethoxyphenyl)propanoyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6S)-1-[3-(4-ethoxyphenyl)propanoyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6S)-1-[3-(4-ethoxyphenyl)propanoyl]-6-methylpiperidine-3-carboxamide is CCOc1ccc(CCC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1.
What is the InChIKey of (3S,6S)-1-[3-(4-ethoxyphenyl)propanoyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is ISAMURLNPHLTLG-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-23-16-9-5-14(6-10-16)7-11-17(21)20-12-15(18(19)22)8-4-13(20)2/h5-6,9-10,13,15H,3-4,7-8,11-12H2,1-2H3,(H2,19,22)/t13-,15-/m0/s1.
What are the key properties of (3S,6S)-1-[3-(4-ethoxyphenyl)propanoyl]-6-methylpiperidine-3-carboxamide?
(3S,6S)-1-[3-(4-ethoxyphenyl)propanoyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-1-[3-(4-ethoxyphenyl)propanoyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95584899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).