4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]-N-prop-2-enylpiperidine-1-carboxamide

C26H39N5O2 — CID 42867449

IUPAC4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]-N-prop-2-enylpiperidine-1-carboxamide
SMILESC=CCNC(=O)N1CCC(c2nc(C)ccc2C(=O)N2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C26H39N5O2/c1-3-13-27-26(33)31-16-9-21(10-17-31)24-23(8-7-20(2)28-24)25(32)30-18-11-22(12-19-30)29-14-5-4-6-15-29/h3,7-8,21-22H,1,4-6,9-19H2,2H3,(H,27,33)
InChIKeyXXARQTSFDBPAOY-UHFFFAOYSA-N
MW453.63 g/mol
LogP3.56
Rot. Bonds5

About 4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]-N-prop-2-enylpiperidine-1-carboxamide

4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]-N-prop-2-enylpiperidine-1-carboxamide (PubChem CID 42867449) has the molecular formula C26H39N5O2 and a molecular weight of 453.63 g/mol. Its IUPAC name is 4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]-N-prop-2-enylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]-N-prop-2-enylpiperidine-1-carboxamide
PubChem CID42867449
Molecular FormulaC26H39N5O2
Molecular Weight453.63 g/mol
Exact Mass453.31
IUPAC Name4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]-N-prop-2-enylpiperidine-1-carboxamide
SMILESC=CCNC(=O)N1CCC(c2nc(C)ccc2C(=O)N2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C26H39N5O2/c1-3-13-27-26(33)31-16-9-21(10-17-31)24-23(8-7-20(2)28-24)25(32)30-18-11-22(12-19-30)29-14-5-4-6-15-29/h3,7-8,21-22H,1,4-6,9-19H2,2H3,(H,27,33)
InChIKeyXXARQTSFDBPAOY-UHFFFAOYSA-N
XLogP3.56
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.63
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]-N-prop-2-enylpiperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42867399
[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46068543
(4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 46044756
(4-cyclopentylpiperazin-1-yl)-[2-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone
CID 42867590
4-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-methyl-2-pyridinyl]-N-ethylpiperidine-1-carboxamide
CID 46044922
(3-fluorophenyl)-[4-[6-methyl-3-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852061
4-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)-6-methyl-2-pyridinyl]-N-phenylpiperidine-1-carboxamide
CID 42867446
2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 42867138
(4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852078
ethyl 4-[6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 5156642
1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 42868116
(4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide
CID 125141015

Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]-N-prop-2-enylpiperidine-1-carboxamide?
The IUPAC name of 4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]-N-prop-2-enylpiperidine-1-carboxamide (CID 42867449) is 4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]-N-prop-2-enylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]-N-prop-2-enylpiperidine-1-carboxamide?
The canonical SMILES for 4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]-N-prop-2-enylpiperidine-1-carboxamide is C=CCNC(=O)N1CCC(c2nc(C)ccc2C(=O)N2CCC(N3CCCCC3)CC2)CC1.
What is the InChIKey of 4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]-N-prop-2-enylpiperidine-1-carboxamide?
The InChIKey is XXARQTSFDBPAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O2/c1-3-13-27-26(33)31-16-9-21(10-17-31)24-23(8-7-20(2)28-24)25(32)30-18-11-22(12-19-30)29-14-5-4-6-15-29/h3,7-8,21-22H,1,4-6,9-19H2,2H3,(H,27,33).
What are the key properties of 4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]-N-prop-2-enylpiperidine-1-carboxamide?
4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]-N-prop-2-enylpiperidine-1-carboxamide has a molecular weight of 453.63 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]-N-prop-2-enylpiperidine-1-carboxamide is sourced from PubChem (CID 42867449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).