(2S,4S)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpiperidine-4-carboxamide

C17H29N3O2 — CID 120634583

IUPAC(2S,4S)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESCCN(CC)C(CNC(=O)[C@H]1CCN[C@@H](C)C1)c1ccco1
InChIInChI=1S/C17H29N3O2/c1-4-20(5-2)15(16-7-6-10-22-16)12-19-17(21)14-8-9-18-13(3)11-14/h6-7,10,13-15,18H,4-5,8-9,11-12H2,1-3H3,(H,19,21)/t13-,14-,15?/m0/s1
InChIKeyCFOJPVVKPJCDSW-ZYOSVBKOSA-N
MW307.44 g/mol
LogP2.17
Rot. Bonds7

About (2S,4S)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120634583) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (2S,4S)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpiperidine-4-carboxamide
PubChem CID120634583
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(2S,4S)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESCCN(CC)C(CNC(=O)[C@H]1CCN[C@@H](C)C1)c1ccco1
InChIInChI=1S/C17H29N3O2/c1-4-20(5-2)15(16-7-6-10-22-16)12-19-17(21)14-8-9-18-13(3)11-14/h6-7,10,13-15,18H,4-5,8-9,11-12H2,1-3H3,(H,19,21)/t13-,14-,15?/m0/s1
InChIKeyCFOJPVVKPJCDSW-ZYOSVBKOSA-N
XLogP2.17
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 120631128
(2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631379
(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide
CID 120636391
(2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120631631
(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636390
(2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120631312
N-[1-(furan-2-yl)propan-2-yl]-2-methylpiperidine-4-carboxamide
CID 106738994
(2R)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-2-carboxamide
CID 104913652
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78983486
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210893
3-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide
CID 119399183

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpiperidine-4-carboxamide (CID 120634583) is (2S,4S)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpiperidine-4-carboxamide is CCN(CC)C(CNC(=O)[C@H]1CCN[C@@H](C)C1)c1ccco1.
What is the InChIKey of (2S,4S)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is CFOJPVVKPJCDSW-ZYOSVBKOSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-4-20(5-2)15(16-7-6-10-22-16)12-19-17(21)14-8-9-18-13(3)11-14/h6-7,10,13-15,18H,4-5,8-9,11-12H2,1-3H3,(H,19,21)/t13-,14-,15?/m0/s1.
What are the key properties of (2S,4S)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120634583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).