(2S,4S)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide

C20H33N3O3 — CID 120645414

IUPAC(2S,4S)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide
SMILESCCN(CC)CCOc1cc(NC(=O)[C@H]2CCN[C@@H](C)C2)ccc1OC
InChIInChI=1S/C20H33N3O3/c1-5-23(6-2)11-12-26-19-14-17(7-8-18(19)25-4)22-20(24)16-9-10-21-15(3)13-16/h7-8,14-16,21H,5-6,9-13H2,1-4H3,(H,22,24)/t15-,16-/m0/s1
InChIKeyRUNCAQACCGFWLY-HOTGVXAUSA-N
MW363.50 g/mol
LogP2.74
Rot. Bonds9

About (2S,4S)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120645414) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is (2S,4S)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide
PubChem CID120645414
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name(2S,4S)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide
SMILESCCN(CC)CCOc1cc(NC(=O)[C@H]2CCN[C@@H](C)C2)ccc1OC
InChIInChI=1S/C20H33N3O3/c1-5-23(6-2)11-12-26-19-14-17(7-8-18(19)25-4)22-20(24)16-9-10-21-15(3)13-16/h7-8,14-16,21H,5-6,9-13H2,1-4H3,(H,22,24)/t15-,16-/m0/s1
InChIKeyRUNCAQACCGFWLY-HOTGVXAUSA-N
XLogP2.74
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide
CID 119865015
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride
CID 119865014
N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 106740759
1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea
CID 60612121
(2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120624364
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]morpholine-2-carboxamide;dihydrochloride
CID 119865052
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(methylamino)acetamide
CID 119865025
(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120617184
1-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 60612179
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-(2-butoxy-5-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120621294
(2S,4S)-N-[1-[2-(diethylamino)ethyl]indol-5-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634846

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide (CID 120645414) is (2S,4S)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide is CCN(CC)CCOc1cc(NC(=O)[C@H]2CCN[C@@H](C)C2)ccc1OC.
What is the InChIKey of (2S,4S)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is RUNCAQACCGFWLY-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-5-23(6-2)11-12-26-19-14-17(7-8-18(19)25-4)22-20(24)16-9-10-21-15(3)13-16/h7-8,14-16,21H,5-6,9-13H2,1-4H3,(H,22,24)/t15-,16-/m0/s1.
What are the key properties of (2S,4S)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 363.50 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120645414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).