N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-[(1R,3R)-3-methoxycyclopentyl]acetamide

C27H40N4O3 — CID 54768827

IUPACN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-[(1R,3R)-3-methoxycyclopentyl]acetamide
SMILESCO[C@@H]1CC[C@@H](CC(=O)NC2CCC(CCN3CCN(c4nccc5occc45)CC3)CC2)C1
InChIInChI=1S/C27H40N4O3/c1-33-23-7-4-21(18-23)19-26(32)29-22-5-2-20(3-6-22)9-12-30-13-15-31(16-14-30)27-24-10-17-34-25(24)8-11-28-27/h8,10-11,17,20-23H,2-7,9,12-16,18-19H2,1H3,(H,29,32)/t20?,21-,22?,23-/m1/s1
InChIKeyOEQABNLZLBEHPD-LPIJFZEYSA-N
MW468.64 g/mol
LogP4.22
Rot. Bonds8

About N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-[(1R,3R)-3-methoxycyclopentyl]acetamide

N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-[(1R,3R)-3-methoxycyclopentyl]acetamide (PubChem CID 54768827) has the molecular formula C27H40N4O3 and a molecular weight of 468.64 g/mol. Its IUPAC name is N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-[(1R,3R)-3-methoxycyclopentyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-[(1R,3R)-3-methoxycyclopentyl]acetamide
PubChem CID54768827
Molecular FormulaC27H40N4O3
Molecular Weight468.64 g/mol
Exact Mass468.31
IUPAC NameN-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-[(1R,3R)-3-methoxycyclopentyl]acetamide
SMILESCO[C@@H]1CC[C@@H](CC(=O)NC2CCC(CCN3CCN(c4nccc5occc45)CC3)CC2)C1
InChIInChI=1S/C27H40N4O3/c1-33-23-7-4-21(18-23)19-26(32)29-22-5-2-20(3-6-22)9-12-30-13-15-31(16-14-30)27-24-10-17-34-25(24)8-11-28-27/h8,10-11,17,20-23H,2-7,9,12-16,18-19H2,1H3,(H,29,32)/t20?,21-,22?,23-/m1/s1
InChIKeyOEQABNLZLBEHPD-LPIJFZEYSA-N
XLogP4.22
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-[(1R,3R)-3-methoxycyclopentyl]acetamide?
The IUPAC name of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-[(1R,3R)-3-methoxycyclopentyl]acetamide (CID 54768827) is N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-[(1R,3R)-3-methoxycyclopentyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-[(1R,3R)-3-methoxycyclopentyl]acetamide?
The canonical SMILES for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-[(1R,3R)-3-methoxycyclopentyl]acetamide is CO[C@@H]1CC[C@@H](CC(=O)NC2CCC(CCN3CCN(c4nccc5occc45)CC3)CC2)C1.
What is the InChIKey of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-[(1R,3R)-3-methoxycyclopentyl]acetamide?
The InChIKey is OEQABNLZLBEHPD-LPIJFZEYSA-N. The full InChI is InChI=1S/C27H40N4O3/c1-33-23-7-4-21(18-23)19-26(32)29-22-5-2-20(3-6-22)9-12-30-13-15-31(16-14-30)27-24-10-17-34-25(24)8-11-28-27/h8,10-11,17,20-23H,2-7,9,12-16,18-19H2,1H3,(H,29,32)/t20?,21-,22?,23-/m1/s1.
What are the key properties of N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-[(1R,3R)-3-methoxycyclopentyl]acetamide?
N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-[(1R,3R)-3-methoxycyclopentyl]acetamide has a molecular weight of 468.64 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-[(1R,3R)-3-methoxycyclopentyl]acetamide is sourced from PubChem (CID 54768827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).