N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluoro-2-pyridinyl)propanamide

C23H29FN4O — CID 126509280

IUPACN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluoro-2-pyridinyl)propanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ncccc1F
InChIInChI=1S/C23H29FN4O/c1-2-21(29)28(22-20(24)9-6-12-25-22)18-23(10-11-23)27-15-13-26(14-16-27)17-19-7-4-3-5-8-19/h3-9,12H,2,10-11,13-18H2,1H3
InChIKeyCSWPKILRWGOCDB-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.31
Rot. Bonds7

About N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluoro-2-pyridinyl)propanamide

N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluoro-2-pyridinyl)propanamide (PubChem CID 126509280) has the molecular formula C23H29FN4O and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluoro-2-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluoro-2-pyridinyl)propanamide
PubChem CID126509280
Molecular FormulaC23H29FN4O
Molecular Weight396.51 g/mol
Exact Mass396.23
IUPAC NameN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluoro-2-pyridinyl)propanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ncccc1F
InChIInChI=1S/C23H29FN4O/c1-2-21(29)28(22-20(24)9-6-12-25-22)18-23(10-11-23)27-15-13-26(14-16-27)17-19-7-4-3-5-8-19/h3-9,12H,2,10-11,13-18H2,1H3
InChIKeyCSWPKILRWGOCDB-UHFFFAOYSA-N
XLogP3.31
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluoro-2-pyridinyl)propanamide?
The IUPAC name of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluoro-2-pyridinyl)propanamide (CID 126509280) is N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluoro-2-pyridinyl)propanamide.
What is the SMILES notation for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluoro-2-pyridinyl)propanamide?
The canonical SMILES for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluoro-2-pyridinyl)propanamide is CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ncccc1F.
What is the InChIKey of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluoro-2-pyridinyl)propanamide?
The InChIKey is CSWPKILRWGOCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O/c1-2-21(29)28(22-20(24)9-6-12-25-22)18-23(10-11-23)27-15-13-26(14-16-27)17-19-7-4-3-5-8-19/h3-9,12H,2,10-11,13-18H2,1H3.
What are the key properties of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluoro-2-pyridinyl)propanamide?
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluoro-2-pyridinyl)propanamide has a molecular weight of 396.51 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluoro-2-pyridinyl)propanamide is sourced from PubChem (CID 126509280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).