2-cyclohexyl-N-[1-(3-fluoropyrrolidine-3-carbonyl)piperidin-4-yl]acetamide;hydrochloride

C18H31ClFN3O2 — CID 119042660

IUPAC2-cyclohexyl-N-[1-(3-fluoropyrrolidine-3-carbonyl)piperidin-4-yl]acetamide;hydrochloride
SMILESCl.O=C(CC1CCCCC1)NC1CCN(C(=O)C2(F)CCNC2)CC1
InChIInChI=1S/C18H30FN3O2.ClH/c19-18(8-9-20-13-18)17(24)22-10-6-15(7-11-22)21-16(23)12-14-4-2-1-3-5-14;/h14-15,20H,1-13H2,(H,21,23);1H
InChIKeyZBZYFEXNAQUSHL-UHFFFAOYSA-N
MW375.92 g/mol
LogP2.19
Rot. Bonds4

About 2-cyclohexyl-N-[1-(3-fluoropyrrolidine-3-carbonyl)piperidin-4-yl]acetamide;hydrochloride

2-cyclohexyl-N-[1-(3-fluoropyrrolidine-3-carbonyl)piperidin-4-yl]acetamide;hydrochloride (PubChem CID 119042660) has the molecular formula C18H31ClFN3O2 and a molecular weight of 375.92 g/mol. Its IUPAC name is 2-cyclohexyl-N-[1-(3-fluoropyrrolidine-3-carbonyl)piperidin-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-cyclohexyl-N-[1-(3-fluoropyrrolidine-3-carbonyl)piperidin-4-yl]acetamide;hydrochloride
PubChem CID119042660
Molecular FormulaC18H31ClFN3O2
Molecular Weight375.92 g/mol
Exact Mass375.21
IUPAC Name2-cyclohexyl-N-[1-(3-fluoropyrrolidine-3-carbonyl)piperidin-4-yl]acetamide;hydrochloride
SMILESCl.O=C(CC1CCCCC1)NC1CCN(C(=O)C2(F)CCNC2)CC1
InChIInChI=1S/C18H30FN3O2.ClH/c19-18(8-9-20-13-18)17(24)22-10-6-15(7-11-22)21-16(23)12-14-4-2-1-3-5-14;/h14-15,20H,1-13H2,(H,21,23);1H
InChIKeyZBZYFEXNAQUSHL-UHFFFAOYSA-N
XLogP2.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide
CID 120903296
2-cyclopentyl-N-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]acetamide
CID 111538308
2-cyclopentyl-N-pyrrolidin-3-ylacetamide
CID 60778008
(3-fluoropyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 130747822
2-cyclohexyl-N-[(3S)-piperidin-3-yl]acetamide
CID 92664479
N-[1-(3-methylpiperidine-3-carbonyl)piperidin-4-yl]butanamide
CID 63131758
azetidin-1-yl-(3-fluoropiperidin-3-yl)methanone
CID 84719009
2-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 103165051
N-[1-(3-methylpiperidine-3-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;hydrochloride
CID 119944157
(4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride
CID 74890104
3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130637857
N-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]propanamide
CID 63122079

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[1-(3-fluoropyrrolidine-3-carbonyl)piperidin-4-yl]acetamide;hydrochloride?
The IUPAC name of 2-cyclohexyl-N-[1-(3-fluoropyrrolidine-3-carbonyl)piperidin-4-yl]acetamide;hydrochloride (CID 119042660) is 2-cyclohexyl-N-[1-(3-fluoropyrrolidine-3-carbonyl)piperidin-4-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-cyclohexyl-N-[1-(3-fluoropyrrolidine-3-carbonyl)piperidin-4-yl]acetamide;hydrochloride?
The canonical SMILES for 2-cyclohexyl-N-[1-(3-fluoropyrrolidine-3-carbonyl)piperidin-4-yl]acetamide;hydrochloride is Cl.O=C(CC1CCCCC1)NC1CCN(C(=O)C2(F)CCNC2)CC1.
What is the InChIKey of 2-cyclohexyl-N-[1-(3-fluoropyrrolidine-3-carbonyl)piperidin-4-yl]acetamide;hydrochloride?
The InChIKey is ZBZYFEXNAQUSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN3O2.ClH/c19-18(8-9-20-13-18)17(24)22-10-6-15(7-11-22)21-16(23)12-14-4-2-1-3-5-14;/h14-15,20H,1-13H2,(H,21,23);1H.
What are the key properties of 2-cyclohexyl-N-[1-(3-fluoropyrrolidine-3-carbonyl)piperidin-4-yl]acetamide;hydrochloride?
2-cyclohexyl-N-[1-(3-fluoropyrrolidine-3-carbonyl)piperidin-4-yl]acetamide;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[1-(3-fluoropyrrolidine-3-carbonyl)piperidin-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 119042660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).