N-[[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]-1-methylpiperazin-2-yl]methyl]-3-propylhexanamide

C19H34FN3O2 — CID 166384257

IUPACN-[[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]-1-methylpiperazin-2-yl]methyl]-3-propylhexanamide
SMILESCCCC(CCC)CC(=O)NCC1CN(C(=O)[C@@H]2C[C@@H]2F)CCN1C
InChIInChI=1S/C19H34FN3O2/c1-4-6-14(7-5-2)10-18(24)21-12-15-13-23(9-8-22(15)3)19(25)16-11-17(16)20/h14-17H,4-13H2,1-3H3,(H,21,24)/t15?,16-,17+/m1/s1
InChIKeyILLSJYPAKCNLDM-FGJGXXMFSA-N
MW355.50 g/mol
LogP2.21
Rot. Bonds9

About N-[[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]-1-methylpiperazin-2-yl]methyl]-3-propylhexanamide

N-[[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]-1-methylpiperazin-2-yl]methyl]-3-propylhexanamide (PubChem CID 166384257) has the molecular formula C19H34FN3O2 and a molecular weight of 355.50 g/mol. Its IUPAC name is N-[[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]-1-methylpiperazin-2-yl]methyl]-3-propylhexanamide.

Molecular Properties

Compound NameN-[[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]-1-methylpiperazin-2-yl]methyl]-3-propylhexanamide
PubChem CID166384257
Molecular FormulaC19H34FN3O2
Molecular Weight355.50 g/mol
Exact Mass355.26
IUPAC NameN-[[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]-1-methylpiperazin-2-yl]methyl]-3-propylhexanamide
SMILESCCCC(CCC)CC(=O)NCC1CN(C(=O)[C@@H]2C[C@@H]2F)CCN1C
InChIInChI=1S/C19H34FN3O2/c1-4-6-14(7-5-2)10-18(24)21-12-15-13-23(9-8-22(15)3)19(25)16-11-17(16)20/h14-17H,4-13H2,1-3H3,(H,21,24)/t15?,16-,17+/m1/s1
InChIKeyILLSJYPAKCNLDM-FGJGXXMFSA-N
XLogP2.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]-1-methylpiperazin-2-yl]methyl]-3-propylhexanamide?
The IUPAC name of N-[[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]-1-methylpiperazin-2-yl]methyl]-3-propylhexanamide (CID 166384257) is N-[[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]-1-methylpiperazin-2-yl]methyl]-3-propylhexanamide.
What is the SMILES notation for N-[[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]-1-methylpiperazin-2-yl]methyl]-3-propylhexanamide?
The canonical SMILES for N-[[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]-1-methylpiperazin-2-yl]methyl]-3-propylhexanamide is CCCC(CCC)CC(=O)NCC1CN(C(=O)[C@@H]2C[C@@H]2F)CCN1C.
What is the InChIKey of N-[[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]-1-methylpiperazin-2-yl]methyl]-3-propylhexanamide?
The InChIKey is ILLSJYPAKCNLDM-FGJGXXMFSA-N. The full InChI is InChI=1S/C19H34FN3O2/c1-4-6-14(7-5-2)10-18(24)21-12-15-13-23(9-8-22(15)3)19(25)16-11-17(16)20/h14-17H,4-13H2,1-3H3,(H,21,24)/t15?,16-,17+/m1/s1.
What are the key properties of N-[[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]-1-methylpiperazin-2-yl]methyl]-3-propylhexanamide?
N-[[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]-1-methylpiperazin-2-yl]methyl]-3-propylhexanamide has a molecular weight of 355.50 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]-1-methylpiperazin-2-yl]methyl]-3-propylhexanamide is sourced from PubChem (CID 166384257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).