N-carbamoylacetamide;3-cyclopropyl-1-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-1-one

C19H26F2N4O3 — CID 145108973

IUPACN-carbamoylacetamide;3-cyclopropyl-1-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-1-one
SMILESCC(=O)NC(N)=O.O=C(CCC1CC1)N1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H20F2N2O.C3H6N2O2/c17-14-5-4-13(11-15(14)18)19-7-9-20(10-8-19)16(21)6-3-12-1-2-12;1-2(6)5-3(4)7/h4-5,11-12H,1-3,6-10H2;1H3,(H3,4,5,6,7)
InChIKeyQRQRVNQFAOKFDJ-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.00
Rot. Bonds4

About N-carbamoylacetamide;3-cyclopropyl-1-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-1-one

N-carbamoylacetamide;3-cyclopropyl-1-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 145108973) has the molecular formula C19H26F2N4O3 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-carbamoylacetamide;3-cyclopropyl-1-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound NameN-carbamoylacetamide;3-cyclopropyl-1-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID145108973
Molecular FormulaC19H26F2N4O3
Molecular Weight396.44 g/mol
Exact Mass396.20
IUPAC NameN-carbamoylacetamide;3-cyclopropyl-1-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-1-one
SMILESCC(=O)NC(N)=O.O=C(CCC1CC1)N1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H20F2N2O.C3H6N2O2/c17-14-5-4-13(11-15(14)18)19-7-9-20(10-8-19)16(21)6-3-12-1-2-12;1-2(6)5-3(4)7/h4-5,11-12H,1-3,6-10H2;1H3,(H3,4,5,6,7)
InChIKeyQRQRVNQFAOKFDJ-UHFFFAOYSA-N
XLogP2.00
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
3-cyclopentyl-1-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 78857174
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[4-(dihydroxyamino)-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one
CID 88984084
1-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]-2-(1-methoxypiperidin-4-yl)ethanone
CID 155952819
N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113081399
methyl 3-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]propanoate
CID 83981606
azetidine;N-[[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide
CID 145108881
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 9081569
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 1056019
1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 113081387
3-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 42100928
3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 84577370

Frequently Asked Questions

What is the IUPAC name of N-carbamoylacetamide;3-cyclopropyl-1-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of N-carbamoylacetamide;3-cyclopropyl-1-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-1-one (CID 145108973) is N-carbamoylacetamide;3-cyclopropyl-1-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for N-carbamoylacetamide;3-cyclopropyl-1-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for N-carbamoylacetamide;3-cyclopropyl-1-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-1-one is CC(=O)NC(N)=O.O=C(CCC1CC1)N1CCN(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-carbamoylacetamide;3-cyclopropyl-1-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is QRQRVNQFAOKFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O.C3H6N2O2/c17-14-5-4-13(11-15(14)18)19-7-9-20(10-8-19)16(21)6-3-12-1-2-12;1-2(6)5-3(4)7/h4-5,11-12H,1-3,6-10H2;1H3,(H3,4,5,6,7).
What are the key properties of N-carbamoylacetamide;3-cyclopropyl-1-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-1-one?
N-carbamoylacetamide;3-cyclopropyl-1-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 396.44 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoylacetamide;3-cyclopropyl-1-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 145108973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).