2-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoylamino]-2-(4-fluorophenyl)acetamide

C20H29FN4O2 — CID 136531851

IUPAC2-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoylamino]-2-(4-fluorophenyl)acetamide
SMILESNC(=O)C(NC(=O)NC1CCN(CC2CCCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H29FN4O2/c21-16-7-5-15(6-8-16)18(19(22)26)24-20(27)23-17-9-11-25(12-10-17)13-14-3-1-2-4-14/h5-8,14,17-18H,1-4,9-13H2,(H2,22,26)(H2,23,24,27)
InChIKeyUBHBROSLAHOQHQ-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.31
Rot. Bonds6

About 2-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoylamino]-2-(4-fluorophenyl)acetamide

2-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoylamino]-2-(4-fluorophenyl)acetamide (PubChem CID 136531851) has the molecular formula C20H29FN4O2 and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoylamino]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoylamino]-2-(4-fluorophenyl)acetamide
PubChem CID136531851
Molecular FormulaC20H29FN4O2
Molecular Weight376.48 g/mol
Exact Mass376.23
IUPAC Name2-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoylamino]-2-(4-fluorophenyl)acetamide
SMILESNC(=O)C(NC(=O)NC1CCN(CC2CCCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H29FN4O2/c21-16-7-5-15(6-8-16)18(19(22)26)24-20(27)23-17-9-11-25(12-10-17)13-14-3-1-2-4-14/h5-8,14,17-18H,1-4,9-13H2,(H2,22,26)(H2,23,24,27)
InChIKeyUBHBROSLAHOQHQ-UHFFFAOYSA-N
XLogP2.31
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide
CID 51127399
1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]urea
CID 51127813
2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 86825537
2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide
CID 55912566
1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 95969050
4-[4-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoyl]phenoxy]benzamide
CID 56548469
1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea
CID 41327503
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104143
trans-(1S,2S)-N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide
CID 142234602
1-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 56930892
1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 56800080
1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 111508924

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoylamino]-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoylamino]-2-(4-fluorophenyl)acetamide (CID 136531851) is 2-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoylamino]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoylamino]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoylamino]-2-(4-fluorophenyl)acetamide is NC(=O)C(NC(=O)NC1CCN(CC2CCCC2)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoylamino]-2-(4-fluorophenyl)acetamide?
The InChIKey is UBHBROSLAHOQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O2/c21-16-7-5-15(6-8-16)18(19(22)26)24-20(27)23-17-9-11-25(12-10-17)13-14-3-1-2-4-14/h5-8,14,17-18H,1-4,9-13H2,(H2,22,26)(H2,23,24,27).
What are the key properties of 2-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoylamino]-2-(4-fluorophenyl)acetamide?
2-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoylamino]-2-(4-fluorophenyl)acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoylamino]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 136531851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).