N-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide

C19H35N3O2 — CID 134058350

IUPACN-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
SMILESCCCCCC(C)NC(=O)CN1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C19H35N3O2/c1-3-4-5-8-16(2)20-18(23)15-21-13-9-17(10-14-21)19(24)22-11-6-7-12-22/h16-17H,3-15H2,1-2H3,(H,20,23)
InChIKeyJNJCXJABHKKQBD-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.41
Rot. Bonds8

About N-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide

N-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide (PubChem CID 134058350) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
PubChem CID134058350
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC NameN-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
SMILESCCCCCC(C)NC(=O)CN1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C19H35N3O2/c1-3-4-5-8-16(2)20-18(23)15-21-13-9-17(10-14-21)19(24)22-11-6-7-12-22/h16-17H,3-15H2,1-2H3,(H,20,23)
InChIKeyJNJCXJABHKKQBD-UHFFFAOYSA-N
XLogP2.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.41
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
methyl (3S)-1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 79037613
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-heptan-2-ylacetamide
CID 60542704
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 86911679
N-(2-methylpropyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 78788315
N-octan-2-ylpyrrolidine-1-carboxamide
CID 56808053
N-heptan-2-ylpiperidine-1-carboxamide
CID 115578841
N-heptan-2-yl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637510
butyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate
CID 134055061
N-cyclopropyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058309

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
The IUPAC name of N-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide (CID 134058350) is N-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide is CCCCCC(C)NC(=O)CN1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
The InChIKey is JNJCXJABHKKQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-3-4-5-8-16(2)20-18(23)15-21-13-9-17(10-14-21)19(24)22-11-6-7-12-22/h16-17H,3-15H2,1-2H3,(H,20,23).
What are the key properties of N-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
N-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide has a molecular weight of 337.51 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 134058350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).