N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-(2-fluoroethyl)piperidine-1-carboxamide

C19H33FN4O2 — CID 138032880

IUPACN-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-(2-fluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCCN1CCN(C(=O)C2CCC2)CC1)N1CCCC(CCF)C1
InChIInChI=1S/C19H33FN4O2/c20-7-6-16-3-2-9-24(15-16)19(26)21-8-10-22-11-13-23(14-12-22)18(25)17-4-1-5-17/h16-17H,1-15H2,(H,21,26)
InChIKeyVCJNDMMOXIMIQV-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.71
Rot. Bonds6

About N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-(2-fluoroethyl)piperidine-1-carboxamide

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-(2-fluoroethyl)piperidine-1-carboxamide (PubChem CID 138032880) has the molecular formula C19H33FN4O2 and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-(2-fluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-(2-fluoroethyl)piperidine-1-carboxamide
PubChem CID138032880
Molecular FormulaC19H33FN4O2
Molecular Weight368.50 g/mol
Exact Mass368.26
IUPAC NameN-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-(2-fluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCCN1CCN(C(=O)C2CCC2)CC1)N1CCCC(CCF)C1
InChIInChI=1S/C19H33FN4O2/c20-7-6-16-3-2-9-24(15-16)19(26)21-8-10-22-11-13-23(14-12-22)18(25)17-4-1-5-17/h16-17H,1-15H2,(H,21,26)
InChIKeyVCJNDMMOXIMIQV-UHFFFAOYSA-N
XLogP1.71
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide
CID 78892291
[3-(2-aminoethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63766706
(3S)-N-(4-methylphenyl)-3-[3-oxo-3-(2-pyrrolidin-1-ylethylamino)propyl]piperidine-1-carboxamide
CID 95093850
[3-(2-chloroethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63395841
(3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120691
1-(2-piperazin-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61408074
[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 89469188
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200105
(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125798
3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide
CID 63766173
3-amino-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]butanamide;dihydrochloride
CID 119887626
1-(2-piperidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55149905

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-(2-fluoroethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-(2-fluoroethyl)piperidine-1-carboxamide (CID 138032880) is N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-(2-fluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-(2-fluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-(2-fluoroethyl)piperidine-1-carboxamide is O=C(NCCN1CCN(C(=O)C2CCC2)CC1)N1CCCC(CCF)C1.
What is the InChIKey of N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-(2-fluoroethyl)piperidine-1-carboxamide?
The InChIKey is VCJNDMMOXIMIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33FN4O2/c20-7-6-16-3-2-9-24(15-16)19(26)21-8-10-22-11-13-23(14-12-22)18(25)17-4-1-5-17/h16-17H,1-15H2,(H,21,26).
What are the key properties of N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-(2-fluoroethyl)piperidine-1-carboxamide?
N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-(2-fluoroethyl)piperidine-1-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-(2-fluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 138032880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).