N-[1-[(E)-3,4-dimethylpent-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide

C21H30N2O4 — CID 108935740

IUPACN-[1-[(E)-3,4-dimethylpent-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)/C=C(\C)C(C)C)CC2)cc1OC
InChIInChI=1S/C21H30N2O4/c1-14(2)15(3)12-20(24)23-10-8-17(9-11-23)22-21(25)16-6-7-18(26-4)19(13-16)27-5/h6-7,12-14,17H,8-11H2,1-5H3,(H,22,25)/b15-12+
InChIKeyPCSZXMAXHVGEFY-NTCAYCPXSA-N
MW374.48 g/mol
LogP3.03
Rot. Bonds6

About N-[1-[(E)-3,4-dimethylpent-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide

N-[1-[(E)-3,4-dimethylpent-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide (PubChem CID 108935740) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[1-[(E)-3,4-dimethylpent-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[(E)-3,4-dimethylpent-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
PubChem CID108935740
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC NameN-[1-[(E)-3,4-dimethylpent-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)/C=C(\C)C(C)C)CC2)cc1OC
InChIInChI=1S/C21H30N2O4/c1-14(2)15(3)12-20(24)23-10-8-17(9-11-23)22-21(25)16-6-7-18(26-4)19(13-16)27-5/h6-7,12-14,17H,8-11H2,1-5H3,(H,22,25)/b15-12+
InChIKeyPCSZXMAXHVGEFY-NTCAYCPXSA-N
XLogP3.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108935704
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559154
3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 5017279
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
(E)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3,4-dimethylpent-2-enamide
CID 108935551
3,4-dimethoxy-N-[[1-(3-methylbut-2-enoyl)piperidin-4-yl]methyl]benzamide
CID 108935524
butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559158
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119796031
(E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide
CID 108935721
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034

Frequently Asked Questions

What is the IUPAC name of N-[1-[(E)-3,4-dimethylpent-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[1-[(E)-3,4-dimethylpent-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide (CID 108935740) is N-[1-[(E)-3,4-dimethylpent-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[1-[(E)-3,4-dimethylpent-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[1-[(E)-3,4-dimethylpent-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NC2CCN(C(=O)/C=C(\C)C(C)C)CC2)cc1OC.
What is the InChIKey of N-[1-[(E)-3,4-dimethylpent-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide?
The InChIKey is PCSZXMAXHVGEFY-NTCAYCPXSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-14(2)15(3)12-20(24)23-10-8-17(9-11-23)22-21(25)16-6-7-18(26-4)19(13-16)27-5/h6-7,12-14,17H,8-11H2,1-5H3,(H,22,25)/b15-12+.
What are the key properties of N-[1-[(E)-3,4-dimethylpent-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide?
N-[1-[(E)-3,4-dimethylpent-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide has a molecular weight of 374.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(E)-3,4-dimethylpent-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 108935740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).