2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide

C16H27N5O — CID 122558372

IUPAC2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
SMILESCc1cnccc1NCCNC(=O)CN(C)C1CCNCC1
InChIInChI=1S/C16H27N5O/c1-13-11-18-8-5-15(13)19-9-10-20-16(22)12-21(2)14-3-6-17-7-4-14/h5,8,11,14,17H,3-4,6-7,9-10,12H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyWWFXAXGWIXJIDS-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.60
Rot. Bonds7

About 2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide

2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide (PubChem CID 122558372) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
PubChem CID122558372
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
SMILESCc1cnccc1NCCNC(=O)CN(C)C1CCNCC1
InChIInChI=1S/C16H27N5O/c1-13-11-18-8-5-15(13)19-9-10-20-16(22)12-21(2)14-3-6-17-7-4-14/h5,8,11,14,17H,3-4,6-7,9-10,12H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyWWFXAXGWIXJIDS-UHFFFAOYSA-N
XLogP0.60
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide
CID 119063054
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(piperidin-4-ylmethyl)benzamide
CID 56907316
N-(3-methyl-4-pyridinyl)-2-piperidin-4-ylacetamide
CID 119876314
2-(1,3-dihydroisoindol-2-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 131922886
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 131892139
N-(3-methyl-4-pyridinyl)piperidine-4-carboxamide
CID 63670702
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607404
2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 72886848
trans-(1S,3S)-3-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]cyclohexane-1-carboxamide
CID 91772201
N-[2-(furan-2-yl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 122567027
2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 104979582
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
CID 131933269

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide?
The IUPAC name of 2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide (CID 122558372) is 2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide?
The canonical SMILES for 2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide is Cc1cnccc1NCCNC(=O)CN(C)C1CCNCC1.
What is the InChIKey of 2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide?
The InChIKey is WWFXAXGWIXJIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-13-11-18-8-5-15(13)19-9-10-20-16(22)12-21(2)14-3-6-17-7-4-14/h5,8,11,14,17H,3-4,6-7,9-10,12H2,1-2H3,(H,18,19)(H,20,22).
What are the key properties of 2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide?
2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide has a molecular weight of 305.43 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide is sourced from PubChem (CID 122558372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).