(2-chlorophenyl)-[4-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]piperidin-1-yl]methanone

C21H22ClFN2O2 — CID 126778459

IUPAC(2-chlorophenyl)-[4-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC(N[C@H]2CCOc3c(F)cccc32)CC1
InChIInChI=1S/C21H22ClFN2O2/c22-17-6-2-1-4-15(17)21(26)25-11-8-14(9-12-25)24-19-10-13-27-20-16(19)5-3-7-18(20)23/h1-7,14,19,24H,8-13H2/t19-/m0/s1
InChIKeySYMCUEQHEACBSB-IBGZPJMESA-N
MW388.87 g/mol
LogP4.20
Rot. Bonds3

About (2-chlorophenyl)-[4-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]piperidin-1-yl]methanone

(2-chlorophenyl)-[4-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]piperidin-1-yl]methanone (PubChem CID 126778459) has the molecular formula C21H22ClFN2O2 and a molecular weight of 388.87 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]piperidin-1-yl]methanone
PubChem CID126778459
Molecular FormulaC21H22ClFN2O2
Molecular Weight388.87 g/mol
Exact Mass388.14
IUPAC Name(2-chlorophenyl)-[4-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC(N[C@H]2CCOc3c(F)cccc32)CC1
InChIInChI=1S/C21H22ClFN2O2/c22-17-6-2-1-4-15(17)21(26)25-11-8-14(9-12-25)24-19-10-13-27-20-16(19)5-3-7-18(20)23/h1-7,14,19,24H,8-13H2/t19-/m0/s1
InChIKeySYMCUEQHEACBSB-IBGZPJMESA-N
XLogP4.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108550866
(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380560
2-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-(trifluoromethyl)benzamide
CID 166358082
2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide
CID 108564176
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-hydroxybenzamide
CID 60572033
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549660
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558620
(2-chlorophenyl)-[4-[2-[(3-fluoro-2-pyridinyl)oxy]ethylamino]piperidin-1-yl]methanone
CID 167794895
2-[2-[(9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]-2-oxoethyl]benzoic acid
CID 120552754

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]piperidin-1-yl]methanone (CID 126778459) is (2-chlorophenyl)-[4-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]piperidin-1-yl]methanone is O=C(c1ccccc1Cl)N1CCC(N[C@H]2CCOc3c(F)cccc32)CC1.
What is the InChIKey of (2-chlorophenyl)-[4-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]piperidin-1-yl]methanone?
The InChIKey is SYMCUEQHEACBSB-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22ClFN2O2/c22-17-6-2-1-4-15(17)21(26)25-11-8-14(9-12-25)24-19-10-13-27-20-16(19)5-3-7-18(20)23/h1-7,14,19,24H,8-13H2/t19-/m0/s1.
What are the key properties of (2-chlorophenyl)-[4-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]piperidin-1-yl]methanone?
(2-chlorophenyl)-[4-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]piperidin-1-yl]methanone has a molecular weight of 388.87 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 126778459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).