(2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide

C17H26N2O2 — CID 9275461

IUPAC(2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C)C2)cc1
InChIInChI=1S/C17H26N2O2/c1-4-21-16-9-7-15(8-10-16)18-17(20)14(3)19-11-5-6-13(2)12-19/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyQRIOEGPJIQORIG-KBPBESRZSA-N
MW290.41 g/mol
LogP3.14
Rot. Bonds5

About (2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide

(2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide (PubChem CID 9275461) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
PubChem CID9275461
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C)C2)cc1
InChIInChI=1S/C17H26N2O2/c1-4-21-16-9-7-15(8-10-16)18-17(20)14(3)19-11-5-6-13(2)12-19/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyQRIOEGPJIQORIG-KBPBESRZSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275474
N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4824476
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4825469
(2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275560
(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41157173
1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906958
(2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275552
N-(4-ethoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanamide
CID 55511224
tert-butyl N-[1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 55841773
(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 8903614
(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9275584
(2R)-N-(4-phenylmethoxyphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 27223610

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide (CID 9275461) is (2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide is CCOc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C)C2)cc1.
What is the InChIKey of (2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
The InChIKey is QRIOEGPJIQORIG-KBPBESRZSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-21-16-9-7-15(8-10-16)18-17(20)14(3)19-11-5-6-13(2)12-19/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,18,20)/t13-,14-/m0/s1.
What are the key properties of (2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
(2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide has a molecular weight of 290.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide is sourced from PubChem (CID 9275461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).