N-[3-[[3-[1-(cyclopropylmethyl)piperidin-4-yl]oxybenzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide

C33H38N4O4 — CID 52948615

IUPACN-[3-[[3-[1-(cyclopropylmethyl)piperidin-4-yl]oxybenzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide
SMILESO=C(Nc1cccc(NC(=O)c2cccc(N3CCOCC3)c2)c1)c1cccc(OC2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C33H38N4O4/c38-32(25-4-1-8-29(20-25)37-16-18-40-19-17-37)34-27-6-3-7-28(22-27)35-33(39)26-5-2-9-31(21-26)41-30-12-14-36(15-13-30)23-24-10-11-24/h1-9,20-22,24,30H,10-19,23H2,(H,34,38)(H,35,39)
InChIKeyRZNLFQOPBPAEJU-UHFFFAOYSA-N
MW554.69 g/mol
LogP5.28
Rot. Bonds9

About N-[3-[[3-[1-(cyclopropylmethyl)piperidin-4-yl]oxybenzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide

N-[3-[[3-[1-(cyclopropylmethyl)piperidin-4-yl]oxybenzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide (PubChem CID 52948615) has the molecular formula C33H38N4O4 and a molecular weight of 554.69 g/mol. Its IUPAC name is N-[3-[[3-[1-(cyclopropylmethyl)piperidin-4-yl]oxybenzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[3-[[3-[1-(cyclopropylmethyl)piperidin-4-yl]oxybenzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide
PubChem CID52948615
Molecular FormulaC33H38N4O4
Molecular Weight554.69 g/mol
Exact Mass554.29
IUPAC NameN-[3-[[3-[1-(cyclopropylmethyl)piperidin-4-yl]oxybenzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide
SMILESO=C(Nc1cccc(NC(=O)c2cccc(N3CCOCC3)c2)c1)c1cccc(OC2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C33H38N4O4/c38-32(25-4-1-8-29(20-25)37-16-18-40-19-17-37)34-27-6-3-7-28(22-27)35-33(39)26-5-2-9-31(21-26)41-30-12-14-36(15-13-30)23-24-10-11-24/h1-9,20-22,24,30H,10-19,23H2,(H,34,38)(H,35,39)
InChIKeyRZNLFQOPBPAEJU-UHFFFAOYSA-N
XLogP5.28
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-[1-(cyclopropylmethyl)piperidin-4-yl]oxybenzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide?
The IUPAC name of N-[3-[[3-[1-(cyclopropylmethyl)piperidin-4-yl]oxybenzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide (CID 52948615) is N-[3-[[3-[1-(cyclopropylmethyl)piperidin-4-yl]oxybenzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[3-[[3-[1-(cyclopropylmethyl)piperidin-4-yl]oxybenzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide?
The canonical SMILES for N-[3-[[3-[1-(cyclopropylmethyl)piperidin-4-yl]oxybenzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide is O=C(Nc1cccc(NC(=O)c2cccc(N3CCOCC3)c2)c1)c1cccc(OC2CCN(CC3CC3)CC2)c1.
What is the InChIKey of N-[3-[[3-[1-(cyclopropylmethyl)piperidin-4-yl]oxybenzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide?
The InChIKey is RZNLFQOPBPAEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O4/c38-32(25-4-1-8-29(20-25)37-16-18-40-19-17-37)34-27-6-3-7-28(22-27)35-33(39)26-5-2-9-31(21-26)41-30-12-14-36(15-13-30)23-24-10-11-24/h1-9,20-22,24,30H,10-19,23H2,(H,34,38)(H,35,39).
What are the key properties of N-[3-[[3-[1-(cyclopropylmethyl)piperidin-4-yl]oxybenzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide?
N-[3-[[3-[1-(cyclopropylmethyl)piperidin-4-yl]oxybenzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide has a molecular weight of 554.69 g/mol, XLogP of 5.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-[1-(cyclopropylmethyl)piperidin-4-yl]oxybenzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide is sourced from PubChem (CID 52948615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).