4-(acetamidomethyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-carboxamide

C17H28N4O3 — CID 94171912

IUPAC4-(acetamidomethyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-carboxamide
SMILESCC(=O)NCC1CCN(C(=O)NC[C@@H](c2ccco2)N(C)C)CC1
InChIInChI=1S/C17H28N4O3/c1-13(22)18-11-14-6-8-21(9-7-14)17(23)19-12-15(20(2)3)16-5-4-10-24-16/h4-5,10,14-15H,6-9,11-12H2,1-3H3,(H,18,22)(H,19,23)/t15-/m0/s1
InChIKeyFAEXYDDMTSWMNA-HNNXBMFYSA-N
MW336.44 g/mol
LogP1.44
Rot. Bonds6

About 4-(acetamidomethyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-carboxamide

4-(acetamidomethyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-carboxamide (PubChem CID 94171912) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-carboxamide
PubChem CID94171912
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name4-(acetamidomethyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-carboxamide
SMILESCC(=O)NCC1CCN(C(=O)NC[C@@H](c2ccco2)N(C)C)CC1
InChIInChI=1S/C17H28N4O3/c1-13(22)18-11-14-6-8-21(9-7-14)17(23)19-12-15(20(2)3)16-5-4-10-24-16/h4-5,10,14-15H,6-9,11-12H2,1-3H3,(H,18,22)(H,19,23)/t15-/m0/s1
InChIKeyFAEXYDDMTSWMNA-HNNXBMFYSA-N
XLogP1.44
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 122566101
1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 62655967
1-(cyclopropylmethyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111869212
1-(1-acetylpiperidin-4-yl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 119133320
4-(2-anilino-2-oxoethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboxamide
CID 86916778
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 51075225
2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95132102
trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide
CID 124726367
N'-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 18589097
N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 41454031
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide
CID 94775937

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(acetamidomethyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-carboxamide (CID 94171912) is 4-(acetamidomethyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-carboxamide is CC(=O)NCC1CCN(C(=O)NC[C@@H](c2ccco2)N(C)C)CC1.
What is the InChIKey of 4-(acetamidomethyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is FAEXYDDMTSWMNA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-13(22)18-11-14-6-8-21(9-7-14)17(23)19-12-15(20(2)3)16-5-4-10-24-16/h4-5,10,14-15H,6-9,11-12H2,1-3H3,(H,18,22)(H,19,23)/t15-/m0/s1.
What are the key properties of 4-(acetamidomethyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-carboxamide?
4-(acetamidomethyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 94171912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).