N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-phenylbenzamide

C32H38N4O2 — CID 54772199

IUPACN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-phenylbenzamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H38N4O2/c37-32(27-10-8-26(9-11-27)25-4-2-1-3-5-25)34-28-12-6-24(7-13-28)15-18-35-19-21-36(22-20-35)31-29-16-23-38-30(29)14-17-33-31/h1-5,8-11,14,17,24,28H,6-7,12-13,15-16,18-23H2,(H,34,37)
InChIKeyZQZUTJSBLPRYPL-UHFFFAOYSA-N
MW510.68 g/mol
LogP5.18
Rot. Bonds7

About N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-phenylbenzamide

N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-phenylbenzamide (PubChem CID 54772199) has the molecular formula C32H38N4O2 and a molecular weight of 510.68 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-phenylbenzamide
PubChem CID54772199
Molecular FormulaC32H38N4O2
Molecular Weight510.68 g/mol
Exact Mass510.30
IUPAC NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-phenylbenzamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H38N4O2/c37-32(27-10-8-26(9-11-27)25-4-2-1-3-5-25)34-28-12-6-24(7-13-28)15-18-35-19-21-36(22-20-35)31-29-16-23-38-30(29)14-17-33-31/h1-5,8-11,14,17,24,28H,6-7,12-13,15-16,18-23H2,(H,34,37)
InChIKeyZQZUTJSBLPRYPL-UHFFFAOYSA-N
XLogP5.18
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.68
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropanol;[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid
CID 90309415
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 54769741
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclobutane-1-carboxamide
CID 54771740
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-[(2S,4R)-4-hydroxyoxolan-2-yl]acetamide
CID 67125841
1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]ethanone
CID 58567306
4-[4-[2-[4-(methylsulfonylmethyl)cyclohexyl]ethyl]piperazin-1-yl]-2,3-dihydrofuro[3,2-c]pyridine
CID 58567351
N-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide
CID 56591914
1-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(oxolan-2-yl)propan-2-one
CID 58567338
N-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-[(3-hydroxy-3-methylbutanoyl)amino]benzamide
CID 56592852
3-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea
CID 56592251
N-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-hydroxyacetamide
CID 56592511
3-methoxy-N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
CID 67125782

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-phenylbenzamide (CID 54772199) is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-phenylbenzamide is O=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-phenylbenzamide?
The InChIKey is ZQZUTJSBLPRYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O2/c37-32(27-10-8-26(9-11-27)25-4-2-1-3-5-25)34-28-12-6-24(7-13-28)15-18-35-19-21-36(22-20-35)31-29-16-23-38-30(29)14-17-33-31/h1-5,8-11,14,17,24,28H,6-7,12-13,15-16,18-23H2,(H,34,37).
What are the key properties of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-phenylbenzamide?
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-phenylbenzamide has a molecular weight of 510.68 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-phenylbenzamide is sourced from PubChem (CID 54772199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).