(E)-3,4-dimethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pent-2-enamide

C19H27N3O2 — CID 108924865

IUPAC(E)-3,4-dimethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pent-2-enamide
SMILESC/C(=C\C(=O)NCC1CCN(C(=O)c2cccnc2)CC1)C(C)C
InChIInChI=1S/C19H27N3O2/c1-14(2)15(3)11-18(23)21-12-16-6-9-22(10-7-16)19(24)17-5-4-8-20-13-17/h4-5,8,11,13-14,16H,6-7,9-10,12H2,1-3H3,(H,21,23)/b15-11+
InChIKeyIAZJIGOVMSJXEA-RVDMUPIBSA-N
MW329.44 g/mol
LogP2.65
Rot. Bonds5

About (E)-3,4-dimethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pent-2-enamide

(E)-3,4-dimethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pent-2-enamide (PubChem CID 108924865) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (E)-3,4-dimethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-3,4-dimethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pent-2-enamide
PubChem CID108924865
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(E)-3,4-dimethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pent-2-enamide
SMILESC/C(=C\C(=O)NCC1CCN(C(=O)c2cccnc2)CC1)C(C)C
InChIInChI=1S/C19H27N3O2/c1-14(2)15(3)11-18(23)21-12-16-6-9-22(10-7-16)19(24)17-5-4-8-20-13-17/h4-5,8,11,13-14,16H,6-7,9-10,12H2,1-3H3,(H,21,23)/b15-11+
InChIKeyIAZJIGOVMSJXEA-RVDMUPIBSA-N
XLogP2.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
CID 90521307
N'-propan-2-yl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520964
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465
3-methoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924717
(E)-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3,4-dimethylpent-2-enamide
CID 108935551
(E)-3-(3-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]prop-2-enamide
CID 108924817
2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521437
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312
(E)-3-(4-bromophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]prop-2-enamide
CID 108924833
2-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521344
3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 90521330
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 90521329

Frequently Asked Questions

What is the IUPAC name of (E)-3,4-dimethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pent-2-enamide?
The IUPAC name of (E)-3,4-dimethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pent-2-enamide (CID 108924865) is (E)-3,4-dimethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pent-2-enamide.
What is the SMILES notation for (E)-3,4-dimethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pent-2-enamide?
The canonical SMILES for (E)-3,4-dimethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pent-2-enamide is C/C(=C\C(=O)NCC1CCN(C(=O)c2cccnc2)CC1)C(C)C.
What is the InChIKey of (E)-3,4-dimethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pent-2-enamide?
The InChIKey is IAZJIGOVMSJXEA-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)15(3)11-18(23)21-12-16-6-9-22(10-7-16)19(24)17-5-4-8-20-13-17/h4-5,8,11,13-14,16H,6-7,9-10,12H2,1-3H3,(H,21,23)/b15-11+.
What are the key properties of (E)-3,4-dimethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pent-2-enamide?
(E)-3,4-dimethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pent-2-enamide has a molecular weight of 329.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,4-dimethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pent-2-enamide is sourced from PubChem (CID 108924865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).