N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride

C14H27ClN2O — CID 119537193

IUPACN-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)C1CCCCCC1
InChIInChI=1S/C14H26N2O.ClH/c17-14(13-5-3-1-2-4-6-13)16-10-8-12-7-9-15-11-12;/h12-13,15H,1-11H2,(H,16,17);1H
InChIKeyBJCBKUVECHUHBE-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.49
Rot. Bonds4

About N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride

N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride (PubChem CID 119537193) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride
PubChem CID119537193
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC NameN-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)C1CCCCCC1
InChIInChI=1S/C14H26N2O.ClH/c17-14(13-5-3-1-2-4-6-13)16-10-8-12-7-9-15-11-12;/h12-13,15H,1-11H2,(H,16,17);1H
InChIKeyBJCBKUVECHUHBE-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 79156274
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N-(piperidin-3-ylmethyl)cyclohexanecarboxamide;hydrochloride
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4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride (CID 119537193) is N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride is Cl.O=C(NCCC1CCNC1)C1CCCCCC1.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride?
The InChIKey is BJCBKUVECHUHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c17-14(13-5-3-1-2-4-6-13)16-10-8-12-7-9-15-11-12;/h12-13,15H,1-11H2,(H,16,17);1H.
What are the key properties of N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride?
N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride is sourced from PubChem (CID 119537193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).