N-cyclopentyl-3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(2-methylpropyl)piperidin-3-yl]propanamide

C27H43FN4O — CID 56857828

IUPACN-cyclopentyl-3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(2-methylpropyl)piperidin-3-yl]propanamide
SMILESCC(C)CN1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@@H](CCC(=O)NC2CCCC2)C1
InChIInChI=1S/C27H43FN4O/c1-21(2)19-30-14-13-25(22(20-30)11-12-27(33)29-23-7-3-4-8-23)31-15-17-32(18-16-31)26-10-6-5-9-24(26)28/h5-6,9-10,21-23,25H,3-4,7-8,11-20H2,1-2H3,(H,29,33)/t22-,25+/m0/s1
InChIKeyNXJNSHHOJBNHML-WIOPSUGQSA-N
MW458.67 g/mol
LogP4.13
Rot. Bonds8

About N-cyclopentyl-3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(2-methylpropyl)piperidin-3-yl]propanamide

N-cyclopentyl-3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(2-methylpropyl)piperidin-3-yl]propanamide (PubChem CID 56857828) has the molecular formula C27H43FN4O and a molecular weight of 458.67 g/mol. Its IUPAC name is N-cyclopentyl-3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(2-methylpropyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(2-methylpropyl)piperidin-3-yl]propanamide
PubChem CID56857828
Molecular FormulaC27H43FN4O
Molecular Weight458.67 g/mol
Exact Mass458.34
IUPAC NameN-cyclopentyl-3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(2-methylpropyl)piperidin-3-yl]propanamide
SMILESCC(C)CN1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@@H](CCC(=O)NC2CCCC2)C1
InChIInChI=1S/C27H43FN4O/c1-21(2)19-30-14-13-25(22(20-30)11-12-27(33)29-23-7-3-4-8-23)31-15-17-32(18-16-31)26-10-6-5-9-24(26)28/h5-6,9-10,21-23,25H,3-4,7-8,11-20H2,1-2H3,(H,29,33)/t22-,25+/m0/s1
InChIKeyNXJNSHHOJBNHML-WIOPSUGQSA-N
XLogP4.13
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.67
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S,4R)-1-[(4-chlorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-yl]-N-cyclopentylpropanamide
CID 28740083
N-[(3,4-dimethoxyphenyl)methyl]-3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(2-methylpropyl)piperidin-3-yl]propanamide
CID 45176062
N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123
N-cyclooctyl-3-[(3S,4R)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
CID 56857665
N-(3-ethoxypropyl)-3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide
CID 29087467
methyl 3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanoate
CID 29210381
methyl 3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]propanoate
CID 26340779
methyl 3-[(3S,4R)-1-[(5-chloro-2-hydroxyphenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-yl]propanoate
CID 29258919
3-[(3S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-yl]propanoic acid
CID 118760019
N-(1,3-benzodioxol-5-yl)-3-[(3R,4S)-1-[(2-chlorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-3-yl]propanamide
CID 133115141
3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]-N-(naphthalen-1-ylmethyl)propanamide
CID 118754967
3-[(3R,4S)-1-(2-methylpropyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-3-yl]-1-piperidin-1-ylpropan-1-one
CID 133134007

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(2-methylpropyl)piperidin-3-yl]propanamide?
The IUPAC name of N-cyclopentyl-3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(2-methylpropyl)piperidin-3-yl]propanamide (CID 56857828) is N-cyclopentyl-3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(2-methylpropyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(2-methylpropyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(2-methylpropyl)piperidin-3-yl]propanamide is CC(C)CN1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@@H](CCC(=O)NC2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(2-methylpropyl)piperidin-3-yl]propanamide?
The InChIKey is NXJNSHHOJBNHML-WIOPSUGQSA-N. The full InChI is InChI=1S/C27H43FN4O/c1-21(2)19-30-14-13-25(22(20-30)11-12-27(33)29-23-7-3-4-8-23)31-15-17-32(18-16-31)26-10-6-5-9-24(26)28/h5-6,9-10,21-23,25H,3-4,7-8,11-20H2,1-2H3,(H,29,33)/t22-,25+/m0/s1.
What are the key properties of N-cyclopentyl-3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(2-methylpropyl)piperidin-3-yl]propanamide?
N-cyclopentyl-3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(2-methylpropyl)piperidin-3-yl]propanamide has a molecular weight of 458.67 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(3S,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(2-methylpropyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 56857828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).