N-[5-fluoro-4-[4-(morpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]acetamide

C16H28FN5O3 — CID 144642152

IUPACN-[5-fluoro-4-[4-(morpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CNCC(F)C1N1CCN(C(=O)C2CNCCO2)CC1
InChIInChI=1S/C16H28FN5O3/c1-11(23)20-13-9-19-8-12(17)15(13)21-3-5-22(6-4-21)16(24)14-10-18-2-7-25-14/h12-15,18-19H,2-10H2,1H3,(H,20,23)
InChIKeyVTWGFUZUQJPFDZ-UHFFFAOYSA-N
MW357.43 g/mol
LogP-2.07
Rot. Bonds3

About N-[5-fluoro-4-[4-(morpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]acetamide

N-[5-fluoro-4-[4-(morpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]acetamide (PubChem CID 144642152) has the molecular formula C16H28FN5O3 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[5-fluoro-4-[4-(morpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-fluoro-4-[4-(morpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]acetamide
PubChem CID144642152
Molecular FormulaC16H28FN5O3
Molecular Weight357.43 g/mol
Exact Mass357.22
IUPAC NameN-[5-fluoro-4-[4-(morpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CNCC(F)C1N1CCN(C(=O)C2CNCCO2)CC1
InChIInChI=1S/C16H28FN5O3/c1-11(23)20-13-9-19-8-12(17)15(13)21-3-5-22(6-4-21)16(24)14-10-18-2-7-25-14/h12-15,18-19H,2-10H2,1H3,(H,20,23)
InChIKeyVTWGFUZUQJPFDZ-UHFFFAOYSA-N
XLogP-2.07
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 5-2.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,2,2-Trifluoro-1-[2-(morpholine-4-carbonyl)-4-piperidin-4-ylpiperazin-1-yl]ethanone
CID 11667999
Morpholin-2-yl-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone
CID 119899931
4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide;dihydrochloride
CID 120810580
4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide
CID 120810581
(2R)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)morpholine-2-carboxamide
CID 121692854
(3,3-difluoropiperidin-1-yl)-[(2R,6R)-6-methylmorpholin-2-yl]methanone
CID 137956078
4-piperidin-4-yl-N,N-bis(2,2,2-trifluoroethyl)morpholine-2-carboxamide
CID 140053328
2-[(4,4-Difluoropiperidin-2-yl)methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 145493208
N-cyclohexyl-2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]acetamide
CID 163350883
2-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-N-(propan-2-yl)acetamide
CID 163352503
3-[2-(4,4-Difluoropiperidine-1-carbonyl)morpholin-4-yl]piperidin-2-one
CID 163352753
N-cyclopentyl-4-[2-(3-oxopiperazin-1-yl)acetyl]morpholine-2-carboxamide
CID 110246700

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-4-[4-(morpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]acetamide?
The IUPAC name of N-[5-fluoro-4-[4-(morpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]acetamide (CID 144642152) is N-[5-fluoro-4-[4-(morpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[5-fluoro-4-[4-(morpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[5-fluoro-4-[4-(morpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]acetamide is CC(=O)NC1CNCC(F)C1N1CCN(C(=O)C2CNCCO2)CC1.
What is the InChIKey of N-[5-fluoro-4-[4-(morpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]acetamide?
The InChIKey is VTWGFUZUQJPFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FN5O3/c1-11(23)20-13-9-19-8-12(17)15(13)21-3-5-22(6-4-21)16(24)14-10-18-2-7-25-14/h12-15,18-19H,2-10H2,1H3,(H,20,23).
What are the key properties of N-[5-fluoro-4-[4-(morpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]acetamide?
N-[5-fluoro-4-[4-(morpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]acetamide has a molecular weight of 357.43 g/mol, XLogP of -2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-4-[4-(morpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 144642152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).