4-[2-[1-(1-methylpiperidin-4-yl)ethenylamino]propyl]-N-propan-2-ylcyclohexane-1-carboxamide

C21H39N3O — CID 139475314

IUPAC4-[2-[1-(1-methylpiperidin-4-yl)ethenylamino]propyl]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESC=C(NC(C)CC1CCC(C(=O)NC(C)C)CC1)C1CCN(C)CC1
InChIInChI=1S/C21H39N3O/c1-15(2)22-21(25)20-8-6-18(7-9-20)14-16(3)23-17(4)19-10-12-24(5)13-11-19/h15-16,18-20,23H,4,6-14H2,1-3,5H3,(H,22,25)
InChIKeyRHSVVKSIBQOKLM-UHFFFAOYSA-N
MW349.56 g/mol
LogP3.54
Rot. Bonds7

About 4-[2-[1-(1-methylpiperidin-4-yl)ethenylamino]propyl]-N-propan-2-ylcyclohexane-1-carboxamide

4-[2-[1-(1-methylpiperidin-4-yl)ethenylamino]propyl]-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 139475314) has the molecular formula C21H39N3O and a molecular weight of 349.56 g/mol. Its IUPAC name is 4-[2-[1-(1-methylpiperidin-4-yl)ethenylamino]propyl]-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[2-[1-(1-methylpiperidin-4-yl)ethenylamino]propyl]-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID139475314
Molecular FormulaC21H39N3O
Molecular Weight349.56 g/mol
Exact Mass349.31
IUPAC Name4-[2-[1-(1-methylpiperidin-4-yl)ethenylamino]propyl]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESC=C(NC(C)CC1CCC(C(=O)NC(C)C)CC1)C1CCN(C)CC1
InChIInChI=1S/C21H39N3O/c1-15(2)22-21(25)20-8-6-18(7-9-20)14-16(3)23-17(4)19-10-12-24(5)13-11-19/h15-16,18-20,23H,4,6-14H2,1-3,5H3,(H,22,25)
InChIKeyRHSVVKSIBQOKLM-UHFFFAOYSA-N
XLogP3.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.56
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-oxobutyl]-2-cyclohexylacetamide
CID 66795016
1-(2,6-Dimethylidenepiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione
CID 89378419
N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methyl-2-methylidenepiperidine-4-carboxamide
CID 122679830
6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(cyclohexylmethyl)-6-oxohexanamide
CID 123851687
N-[4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-oxobutyl]cyclohexanecarboxamide
CID 123873718
(1R,2S,5R)-N-[(2S)-2-[[(3R)-3-aminobut-1-en-2-yl]amino]-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 126617011
(1R,2S,5R)-N-[2-(3-aminobut-1-en-2-ylamino)-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 126617014
(1R,2S,5R)-N-[(2S)-2-[[(3S)-3-aminobut-1-en-2-yl]amino]-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 126617158
5-(dimethylamino)-4-methyl-2-[2-(piperidine-1-carbonyl)butyl]-N-propan-2-ylhex-5-enamide
CID 132100520
1-(2-cyclohexylacetyl)-N-[1-(3-ethylcyclopentyl)prop-2-enyl]piperidine-4-carboxamide
CID 143593847
ethane;N-ethyl-2-[4-[(3-methyl-5-methylidene-2-oxopyrrolidin-1-yl)methyl]cyclohexyl]acetamide
CID 145076925
(7R)-1,7,11,11-tetramethyl-2-methylidene-1,5-diazacyclotetradecan-6-one
CID 145399674

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(1-methylpiperidin-4-yl)ethenylamino]propyl]-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-[2-[1-(1-methylpiperidin-4-yl)ethenylamino]propyl]-N-propan-2-ylcyclohexane-1-carboxamide (CID 139475314) is 4-[2-[1-(1-methylpiperidin-4-yl)ethenylamino]propyl]-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[2-[1-(1-methylpiperidin-4-yl)ethenylamino]propyl]-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[2-[1-(1-methylpiperidin-4-yl)ethenylamino]propyl]-N-propan-2-ylcyclohexane-1-carboxamide is C=C(NC(C)CC1CCC(C(=O)NC(C)C)CC1)C1CCN(C)CC1.
What is the InChIKey of 4-[2-[1-(1-methylpiperidin-4-yl)ethenylamino]propyl]-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is RHSVVKSIBQOKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O/c1-15(2)22-21(25)20-8-6-18(7-9-20)14-16(3)23-17(4)19-10-12-24(5)13-11-19/h15-16,18-20,23H,4,6-14H2,1-3,5H3,(H,22,25).
What are the key properties of 4-[2-[1-(1-methylpiperidin-4-yl)ethenylamino]propyl]-N-propan-2-ylcyclohexane-1-carboxamide?
4-[2-[1-(1-methylpiperidin-4-yl)ethenylamino]propyl]-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 349.56 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(1-methylpiperidin-4-yl)ethenylamino]propyl]-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 139475314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).