(3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

C22H25FN2O3 — CID 97117554

IUPAC(3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OC[C@@H](C(=O)NC1CCN(c3ccccc3F)CC1)C2
InChIInChI=1S/C22H25FN2O3/c1-27-20-8-4-5-15-13-16(14-28-21(15)20)22(26)24-17-9-11-25(12-10-17)19-7-3-2-6-18(19)23/h2-8,16-17H,9-14H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyPJAPZEKHCDZFFE-INIZCTEOSA-N
MW384.45 g/mol
LogP3.17
Rot. Bonds4

About (3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 97117554) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is (3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID97117554
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name(3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OC[C@@H](C(=O)NC1CCN(c3ccccc3F)CC1)C2
InChIInChI=1S/C22H25FN2O3/c1-27-20-8-4-5-15-13-16(14-28-21(15)20)22(26)24-17-9-11-25(12-10-17)19-7-3-2-6-18(19)23/h2-8,16-17H,9-14H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyPJAPZEKHCDZFFE-INIZCTEOSA-N
XLogP3.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

8-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 169417243
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
1-(2-fluorophenyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17152653
(3R)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 124756572
8-methoxy-N-[1-(5-pyridin-2-ylfuran-2-carbonyl)piperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 167843703
2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)piperidin-4-yl]acetamide
CID 49205489
(3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97194876
(3R)-8-methoxy-N-(2-pyridin-2-ylsulfanylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97148603
8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 131936486
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
(3S)-8-methoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97136197
2-fluoro-N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 93045417

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (CID 97117554) is (3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is COc1cccc2c1OC[C@@H](C(=O)NC1CCN(c3ccccc3F)CC1)C2.
What is the InChIKey of (3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is PJAPZEKHCDZFFE-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-27-20-8-4-5-15-13-16(14-28-21(15)20)22(26)24-17-9-11-25(12-10-17)19-7-3-2-6-18(19)23/h2-8,16-17H,9-14H2,1H3,(H,24,26)/t16-/m0/s1.
What are the key properties of (3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 97117554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).