N-[[1-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide

C23H29FN4O — CID 137371192

IUPACN-[[1-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccc(F)cn3)CC2)CC1)c1ccccc1
InChIInChI=1S/C23H29FN4O/c1-2-22(29)28(21-6-4-3-5-7-21)18-23(10-11-23)27-14-12-26(13-15-27)17-20-9-8-19(24)16-25-20/h3-9,16H,2,10-15,17-18H2,1H3
InChIKeyOSVMKNLZDNAYFP-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.31
Rot. Bonds7

About N-[[1-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide

N-[[1-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide (PubChem CID 137371192) has the molecular formula C23H29FN4O and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[[1-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[[1-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide
PubChem CID137371192
Molecular FormulaC23H29FN4O
Molecular Weight396.51 g/mol
Exact Mass396.23
IUPAC NameN-[[1-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccc(F)cn3)CC2)CC1)c1ccccc1
InChIInChI=1S/C23H29FN4O/c1-2-22(29)28(21-6-4-3-5-7-21)18-23(10-11-23)27-14-12-26(13-15-27)17-20-9-8-19(24)16-25-20/h3-9,16H,2,10-15,17-18H2,1H3
InChIKeyOSVMKNLZDNAYFP-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-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide?
The IUPAC name of N-[[1-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide (CID 137371192) is N-[[1-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide.
What is the SMILES notation for N-[[1-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide?
The canonical SMILES for N-[[1-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide is CCC(=O)N(CC1(N2CCN(Cc3ccc(F)cn3)CC2)CC1)c1ccccc1.
What is the InChIKey of N-[[1-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide?
The InChIKey is OSVMKNLZDNAYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O/c1-2-22(29)28(21-6-4-3-5-7-21)18-23(10-11-23)27-14-12-26(13-15-27)17-20-9-8-19(24)16-25-20/h3-9,16H,2,10-15,17-18H2,1H3.
What are the key properties of N-[[1-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide?
N-[[1-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide 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-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide is sourced from PubChem (CID 137371192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).