N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide

C14H25N3O — CID 115629328

IUPACN-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide
SMILESO=C(NC1CCN(C2CC2)C1)N1CCCCCC1
InChIInChI=1S/C14H25N3O/c18-14(16-8-3-1-2-4-9-16)15-12-7-10-17(11-12)13-5-6-13/h12-13H,1-11H2,(H,15,18)
InChIKeyYYKQENPWNQCTJW-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.81
Rot. Bonds2

About N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide

N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide (PubChem CID 115629328) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide
PubChem CID115629328
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide
SMILESO=C(NC1CCN(C2CC2)C1)N1CCCCCC1
InChIInChI=1S/C14H25N3O/c18-14(16-8-3-1-2-4-9-16)15-12-7-10-17(11-12)13-5-6-13/h12-13H,1-11H2,(H,15,18)
InChIKeyYYKQENPWNQCTJW-UHFFFAOYSA-N
XLogP1.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide
CID 110482205
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea
CID 115629326
N-cyclohexyl-4-piperidin-1-ylpiperidine-1-carboxamide
CID 23604706
methyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate
CID 110477693
1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119864838
N-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 18723341
N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
CID 79152452
N-[4-(methylamino)cyclohexyl]piperidine-1-carboxamide
CID 79156160
N-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide
CID 142009370
N-pyrrolidin-3-ylazepane-1-carboxamide
CID 79151743
N-(4-aminocyclohexyl)azepane-1-carboxamide
CID 79152451

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide (CID 115629328) is N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide is O=C(NC1CCN(C2CC2)C1)N1CCCCCC1.
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide?
The InChIKey is YYKQENPWNQCTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c18-14(16-8-3-1-2-4-9-16)15-12-7-10-17(11-12)13-5-6-13/h12-13H,1-11H2,(H,15,18).
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide?
N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide is sourced from PubChem (CID 115629328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).