N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide

C29H42N6O2 — CID 169009110

IUPACN-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
SMILESCCC(=O)NC1CCC(CCN2CCN(c3cc(-c4ccccn4)cc(N4CCOCC4)n3)CC2)CC1
InChIInChI=1S/C29H42N6O2/c1-2-29(36)31-25-8-6-23(7-9-25)10-12-33-13-15-34(16-14-33)27-21-24(26-5-3-4-11-30-26)22-28(32-27)35-17-19-37-20-18-35/h3-5,11,21-23,25H,2,6-10,12-20H2,1H3,(H,31,36)
InChIKeyCJBLPDQZZPOWKQ-UHFFFAOYSA-N
MW506.70 g/mol
LogP3.58
Rot. Bonds8

About N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide

N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide (PubChem CID 169009110) has the molecular formula C29H42N6O2 and a molecular weight of 506.70 g/mol. Its IUPAC name is N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
PubChem CID169009110
Molecular FormulaC29H42N6O2
Molecular Weight506.70 g/mol
Exact Mass506.34
IUPAC NameN-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
SMILESCCC(=O)NC1CCC(CCN2CCN(c3cc(-c4ccccn4)cc(N4CCOCC4)n3)CC2)CC1
InChIInChI=1S/C29H42N6O2/c1-2-29(36)31-25-8-6-23(7-9-25)10-12-33-13-15-34(16-14-33)27-21-24(26-5-3-4-11-30-26)22-28(32-27)35-17-19-37-20-18-35/h3-5,11,21-23,25H,2,6-10,12-20H2,1H3,(H,31,36)
InChIKeyCJBLPDQZZPOWKQ-UHFFFAOYSA-N
XLogP3.58
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.70
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide?
The IUPAC name of N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide (CID 169009110) is N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide.
What is the SMILES notation for N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide?
The canonical SMILES for N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide is CCC(=O)NC1CCC(CCN2CCN(c3cc(-c4ccccn4)cc(N4CCOCC4)n3)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide?
The InChIKey is CJBLPDQZZPOWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N6O2/c1-2-29(36)31-25-8-6-23(7-9-25)10-12-33-13-15-34(16-14-33)27-21-24(26-5-3-4-11-30-26)22-28(32-27)35-17-19-37-20-18-35/h3-5,11,21-23,25H,2,6-10,12-20H2,1H3,(H,31,36).
What are the key properties of N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide?
N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide has a molecular weight of 506.70 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(6-morpholin-4-yl-4-pyridin-2-yl-2-pyridinyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide is sourced from PubChem (CID 169009110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).