5,7-dichloro-N-[(1R,3S)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]-2H-chromene-3-carboxamide

C28H32Cl2N2O3 — CID 25007999

IUPAC5,7-dichloro-N-[(1R,3S)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]-2H-chromene-3-carboxamide
SMILESCOc1ccc(C2CCN(C[C@H]3CC[C@@H](NC(=O)C4=Cc5c(Cl)cc(Cl)cc5OC4)C3)CC2)cc1
InChIInChI=1S/C28H32Cl2N2O3/c1-34-24-6-3-19(4-7-24)20-8-10-32(11-9-20)16-18-2-5-23(12-18)31-28(33)21-13-25-26(30)14-22(29)15-27(25)35-17-21/h3-4,6-7,13-15,18,20,23H,2,5,8-12,16-17H2,1H3,(H,31,33)/t18-,23+/m0/s1
InChIKeyIVHZHONALRGBDU-FDDCHVKYSA-N
MW515.48 g/mol
LogP5.94
Rot. Bonds6

About 5,7-dichloro-N-[(1R,3S)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]-2H-chromene-3-carboxamide

5,7-dichloro-N-[(1R,3S)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]-2H-chromene-3-carboxamide (PubChem CID 25007999) has the molecular formula C28H32Cl2N2O3 and a molecular weight of 515.48 g/mol. Its IUPAC name is 5,7-dichloro-N-[(1R,3S)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name5,7-dichloro-N-[(1R,3S)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]-2H-chromene-3-carboxamide
PubChem CID25007999
Molecular FormulaC28H32Cl2N2O3
Molecular Weight515.48 g/mol
Exact Mass514.18
IUPAC Name5,7-dichloro-N-[(1R,3S)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]-2H-chromene-3-carboxamide
SMILESCOc1ccc(C2CCN(C[C@H]3CC[C@@H](NC(=O)C4=Cc5c(Cl)cc(Cl)cc5OC4)C3)CC2)cc1
InChIInChI=1S/C28H32Cl2N2O3/c1-34-24-6-3-19(4-7-24)20-8-10-32(11-9-20)16-18-2-5-23(12-18)31-28(33)21-13-25-26(30)14-22(29)15-27(25)35-17-21/h3-4,6-7,13-15,18,20,23H,2,5,8-12,16-17H2,1H3,(H,31,33)/t18-,23+/m0/s1
InChIKeyIVHZHONALRGBDU-FDDCHVKYSA-N
XLogP5.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.48
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,3R)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]-3H-benzo[f]chromene-2-carboxamide
CID 69170553
6-tert-butyl-N-[(1R,3S)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]-2H-chromene-3-carboxamide
CID 25010612
tert-butyl N-[(1S,3R)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 71064373
1-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(3,5-difluorophenyl)urea
CID 25009535
(E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(furan-3-yl)prop-2-enamide
CID 69172181
N-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide
CID 119456581
(E)-N-[3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-pyridin-4-ylprop-2-enamide
CID 69170647
(E)-3-(3,5-difluorophenyl)-N-[3-[[4-(4-methylphenyl)piperidin-1-yl]methyl]cyclopentyl]prop-2-enamide
CID 69172457
(E)-3-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,3R)-3-[[(3R,4S)-3-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]prop-2-enamide
CID 25009021
(6-chloro-2H-chromen-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 24517923
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 110913057

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-[(1R,3S)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]-2H-chromene-3-carboxamide?
The IUPAC name of 5,7-dichloro-N-[(1R,3S)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]-2H-chromene-3-carboxamide (CID 25007999) is 5,7-dichloro-N-[(1R,3S)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 5,7-dichloro-N-[(1R,3S)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 5,7-dichloro-N-[(1R,3S)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]-2H-chromene-3-carboxamide is COc1ccc(C2CCN(C[C@H]3CC[C@@H](NC(=O)C4=Cc5c(Cl)cc(Cl)cc5OC4)C3)CC2)cc1.
What is the InChIKey of 5,7-dichloro-N-[(1R,3S)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]-2H-chromene-3-carboxamide?
The InChIKey is IVHZHONALRGBDU-FDDCHVKYSA-N. The full InChI is InChI=1S/C28H32Cl2N2O3/c1-34-24-6-3-19(4-7-24)20-8-10-32(11-9-20)16-18-2-5-23(12-18)31-28(33)21-13-25-26(30)14-22(29)15-27(25)35-17-21/h3-4,6-7,13-15,18,20,23H,2,5,8-12,16-17H2,1H3,(H,31,33)/t18-,23+/m0/s1.
What are the key properties of 5,7-dichloro-N-[(1R,3S)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]-2H-chromene-3-carboxamide?
5,7-dichloro-N-[(1R,3S)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]-2H-chromene-3-carboxamide has a molecular weight of 515.48 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-[(1R,3S)-3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]cyclopentyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 25007999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).