N-(cyclopropylmethyl)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxamide

C22H31FN4O2 — CID 60512609

IUPACN-(cyclopropylmethyl)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(CC(=O)N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C22H31FN4O2/c23-19-5-1-2-6-20(19)26-10-12-27(13-11-26)21(28)16-25-9-3-4-18(15-25)22(29)24-14-17-7-8-17/h1-2,5-6,17-18H,3-4,7-16H2,(H,24,29)
InChIKeyWCHWQMUPROERJI-UHFFFAOYSA-N
MW402.51 g/mol
LogP1.71
Rot. Bonds6

About N-(cyclopropylmethyl)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 60512609) has the molecular formula C22H31FN4O2 and a molecular weight of 402.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxamide
PubChem CID60512609
Molecular FormulaC22H31FN4O2
Molecular Weight402.51 g/mol
Exact Mass402.24
IUPAC NameN-(cyclopropylmethyl)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(CC(=O)N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C22H31FN4O2/c23-19-5-1-2-6-20(19)26-10-12-27(13-11-26)21(28)16-25-9-3-4-18(15-25)22(29)24-14-17-7-8-17/h1-2,5-6,17-18H,3-4,7-16H2,(H,24,29)
InChIKeyWCHWQMUPROERJI-UHFFFAOYSA-N
XLogP1.71
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 18125292
N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide
CID 131924742
2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826997
N-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 60512490
(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161419
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592
(3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161409
2-(6-azaspiro[3.4]octan-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 167870965
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 111148855
N-(cyclopropylmethyl)-1-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]piperidine-3-carboxamide
CID 55868809

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxamide (CID 60512609) is N-(cyclopropylmethyl)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxamide is O=C(NCC1CC1)C1CCCN(CC(=O)N2CCN(c3ccccc3F)CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is WCHWQMUPROERJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O2/c23-19-5-1-2-6-20(19)26-10-12-27(13-11-26)21(28)16-25-9-3-4-18(15-25)22(29)24-14-17-7-8-17/h1-2,5-6,17-18H,3-4,7-16H2,(H,24,29).
What are the key properties of N-(cyclopropylmethyl)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 402.51 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 60512609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).