prop-2-enyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate

C19H22FN5O2 — CID 110186978

IUPACprop-2-enyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
SMILESC=CCOC(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1N
InChIInChI=1S/C19H22FN5O2/c1-2-13-27-19(26)22-16-7-8-17(23-18(16)21)25-11-9-24(10-12-25)15-5-3-14(20)4-6-15/h2-8H,1,9-13H2,(H2,21,23)(H,22,26)
InChIKeyIBHKSACKWSGHHA-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.86
Rot. Bonds5

About prop-2-enyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate

prop-2-enyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate (PubChem CID 110186978) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is prop-2-enyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
PubChem CID110186978
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Nameprop-2-enyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
SMILESC=CCOC(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1N
InChIInChI=1S/C19H22FN5O2/c1-2-13-27-19(26)22-16-7-8-17(23-18(16)21)25-11-9-24(10-12-25)15-5-3-14(20)4-6-15/h2-8H,1,9-13H2,(H2,21,23)(H,22,26)
InChIKeyIBHKSACKWSGHHA-UHFFFAOYSA-N
XLogP2.86
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
CID 110186737
prop-2-enyl N-[2-amino-6-[(2-chloro-4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 15152218
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247702
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-prop-2-enylbutanamide
CID 3326442
4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 53144015
3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate
CID 58904617
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109123192
prop-2-enyl N-(2,4-dimethylphenyl)carbamate
CID 3307281
N-(2,5-difluorophenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide
CID 50843633
N-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113043147
2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid
CID 50782097

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate?
The IUPAC name of prop-2-enyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate (CID 110186978) is prop-2-enyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate is C=CCOC(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1N.
What is the InChIKey of prop-2-enyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate?
The InChIKey is IBHKSACKWSGHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-2-13-27-19(26)22-16-7-8-17(23-18(16)21)25-11-9-24(10-12-25)15-5-3-14(20)4-6-15/h2-8H,1,9-13H2,(H2,21,23)(H,22,26).
What are the key properties of prop-2-enyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate?
prop-2-enyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate has a molecular weight of 371.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate is sourced from PubChem (CID 110186978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).