4-cycloheptylpyrrolidine-3-carboxamide

C12H22N2O — CID 114487061

IUPAC4-cycloheptylpyrrolidine-3-carboxamide
SMILESNC(=O)C1CNCC1C1CCCCCC1
InChIInChI=1S/C12H22N2O/c13-12(15)11-8-14-7-10(11)9-5-3-1-2-4-6-9/h9-11,14H,1-8H2,(H2,13,15)
InChIKeySPHTVDGROAERBD-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.28
Rot. Bonds2

About 4-cycloheptylpyrrolidine-3-carboxamide

4-cycloheptylpyrrolidine-3-carboxamide (PubChem CID 114487061) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-cycloheptylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-cycloheptylpyrrolidine-3-carboxamide
PubChem CID114487061
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-cycloheptylpyrrolidine-3-carboxamide
SMILESNC(=O)C1CNCC1C1CCCCCC1
InChIInChI=1S/C12H22N2O/c13-12(15)11-8-14-7-10(11)9-5-3-1-2-4-6-9/h9-11,14H,1-8H2,(H2,13,15)
InChIKeySPHTVDGROAERBD-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexylpiperidine-4-carboxamide
CID 174458601
methyl 4-cyclohexylpyrrolidine-3-carboxylate
CID 114486447
(1R,2R,7R)-bicyclo[5.2.0]nonane-2-carboxamide
CID 125180717
(3S,4R)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 129369631
ethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate
CID 155904778
3-cyclobutylpiperidine-4-carboxylic acid
CID 84769140
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
CID 141412102
(3aS)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrole;oxalic acid
CID 67720271
ethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate
CID 131850205
ethyl (3S,4R)-4-cyclopropylpyrrolidine-3-carboxylate
CID 131632236
(2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide
CID 141395914
tert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate
CID 178194440

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptylpyrrolidine-3-carboxamide?
The IUPAC name of 4-cycloheptylpyrrolidine-3-carboxamide (CID 114487061) is 4-cycloheptylpyrrolidine-3-carboxamide.
What is the SMILES notation for 4-cycloheptylpyrrolidine-3-carboxamide?
The canonical SMILES for 4-cycloheptylpyrrolidine-3-carboxamide is NC(=O)C1CNCC1C1CCCCCC1.
What is the InChIKey of 4-cycloheptylpyrrolidine-3-carboxamide?
The InChIKey is SPHTVDGROAERBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c13-12(15)11-8-14-7-10(11)9-5-3-1-2-4-6-9/h9-11,14H,1-8H2,(H2,13,15).
What are the key properties of 4-cycloheptylpyrrolidine-3-carboxamide?
4-cycloheptylpyrrolidine-3-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114487061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).