2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N-heptan-2-ylacetamide

C18H37N3O — CID 60542704

IUPAC2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N-heptan-2-ylacetamide
SMILESCCCCCC(C)NC(=O)CN1CCC(CCN(C)C)CC1
InChIInChI=1S/C18H37N3O/c1-5-6-7-8-16(2)19-18(22)15-21-13-10-17(11-14-21)9-12-20(3)4/h16-17H,5-15H2,1-4H3,(H,19,22)
InChIKeyQPNWSTMKSRTOAK-UHFFFAOYSA-N
MW311.51 g/mol
LogP2.74
Rot. Bonds10

About 2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N-heptan-2-ylacetamide

2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N-heptan-2-ylacetamide (PubChem CID 60542704) has the molecular formula C18H37N3O and a molecular weight of 311.51 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N-heptan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N-heptan-2-ylacetamide
PubChem CID60542704
Molecular FormulaC18H37N3O
Molecular Weight311.51 g/mol
Exact Mass311.29
IUPAC Name2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N-heptan-2-ylacetamide
SMILESCCCCCC(C)NC(=O)CN1CCC(CCN(C)C)CC1
InChIInChI=1S/C18H37N3O/c1-5-6-7-8-16(2)19-18(22)15-21-13-10-17(11-14-21)9-12-20(3)4/h16-17H,5-15H2,1-4H3,(H,19,22)
InChIKeyQPNWSTMKSRTOAK-UHFFFAOYSA-N
XLogP2.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43385834
N-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058350
N-heptan-2-yl-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898417
N-heptan-2-yl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681350
2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N,N-dipropylacetamide
CID 60542861
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 63248800
2-(4-aminopiperidin-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 43556882
methyl (3S)-1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 79037613
2-[4-(2-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 121200085
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 55030660
N-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728598
N-heptan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62738251

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N-heptan-2-ylacetamide?
The IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N-heptan-2-ylacetamide (CID 60542704) is 2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N-heptan-2-ylacetamide.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N-heptan-2-ylacetamide?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N-heptan-2-ylacetamide is CCCCCC(C)NC(=O)CN1CCC(CCN(C)C)CC1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N-heptan-2-ylacetamide?
The InChIKey is QPNWSTMKSRTOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O/c1-5-6-7-8-16(2)19-18(22)15-21-13-10-17(11-14-21)9-12-20(3)4/h16-17H,5-15H2,1-4H3,(H,19,22).
What are the key properties of 2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N-heptan-2-ylacetamide?
2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N-heptan-2-ylacetamide has a molecular weight of 311.51 g/mol, XLogP of 2.74, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N-heptan-2-ylacetamide is sourced from PubChem (CID 60542704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).