N-carbamoyl-2-[1-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]cyclopropane-1-carboxamide

C19H24F2N4O3 — CID 146266013

IUPACN-carbamoyl-2-[1-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
SMILESCC(C(=O)N1CCN(c2ccc(F)c(F)c2)[C@@H](C)C1)C1CC1C(=O)NC(N)=O
InChIInChI=1S/C19H24F2N4O3/c1-10-9-24(5-6-25(10)12-3-4-15(20)16(21)7-12)18(27)11(2)13-8-14(13)17(26)23-19(22)28/h3-4,7,10-11,13-14H,5-6,8-9H2,1-2H3,(H3,22,23,26,28)/t10-,11?,13?,14?/m0/s1
InChIKeyMPGOLFLAWIGZKB-LHDGGZGMSA-N
MW394.42 g/mol
LogP1.47
Rot. Bonds4

About N-carbamoyl-2-[1-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]cyclopropane-1-carboxamide

N-carbamoyl-2-[1-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]cyclopropane-1-carboxamide (PubChem CID 146266013) has the molecular formula C19H24F2N4O3 and a molecular weight of 394.42 g/mol. Its IUPAC name is N-carbamoyl-2-[1-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-carbamoyl-2-[1-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
PubChem CID146266013
Molecular FormulaC19H24F2N4O3
Molecular Weight394.42 g/mol
Exact Mass394.18
IUPAC NameN-carbamoyl-2-[1-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
SMILESCC(C(=O)N1CCN(c2ccc(F)c(F)c2)[C@@H](C)C1)C1CC1C(=O)NC(N)=O
InChIInChI=1S/C19H24F2N4O3/c1-10-9-24(5-6-25(10)12-3-4-15(20)16(21)7-12)18(27)11(2)13-8-14(13)17(26)23-19(22)28/h3-4,7,10-11,13-14H,5-6,8-9H2,1-2H3,(H3,22,23,26,28)/t10-,11?,13?,14?/m0/s1
InChIKeyMPGOLFLAWIGZKB-LHDGGZGMSA-N
XLogP1.47
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437982
N-[[(2S)-3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide
CID 154981349
5-(1-acetylazetidin-3-yl)-5-[3-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione
CID 159218788
5-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-N-[(2-methoxyethylamino)methyl]-4-methyl-5-oxopentanamide
CID 137467895
(3S)-4-(3,4-diaminophenyl)-3-methylpiperazine-1-carboxylic acid
CID 68681199
5-[3-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437573
1-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-4-hydroxy-4-(6-methyl-3-pyridinyl)butan-1-one
CID 134368750
(5S)-9-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazine-1-carbonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 177036769
(5S)-5-[(2S)-3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione
CID 121438010
tert-butyl 4-(3-fluorophenyl)-3-methylpiperazine-1-carboxylate
CID 166723804
N-carbamoylacetamide;3-cyclopropyl-1-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-1-one
CID 145108973
tert-butyl N-[(2R)-1-[(3R)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 97094565

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[1-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-carbamoyl-2-[1-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]cyclopropane-1-carboxamide (CID 146266013) is N-carbamoyl-2-[1-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-carbamoyl-2-[1-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-carbamoyl-2-[1-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]cyclopropane-1-carboxamide is CC(C(=O)N1CCN(c2ccc(F)c(F)c2)[C@@H](C)C1)C1CC1C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[1-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is MPGOLFLAWIGZKB-LHDGGZGMSA-N. The full InChI is InChI=1S/C19H24F2N4O3/c1-10-9-24(5-6-25(10)12-3-4-15(20)16(21)7-12)18(27)11(2)13-8-14(13)17(26)23-19(22)28/h3-4,7,10-11,13-14H,5-6,8-9H2,1-2H3,(H3,22,23,26,28)/t10-,11?,13?,14?/m0/s1.
What are the key properties of N-carbamoyl-2-[1-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]cyclopropane-1-carboxamide?
N-carbamoyl-2-[1-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 394.42 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[1-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 146266013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).