N-cyclopropyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide

C18H27N5O2 — CID 135515965

IUPACN-cyclopropyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1)NC1CC1
InChIInChI=1S/C18H27N5O2/c24-16(19-12-5-6-12)11-23-9-7-13(8-10-23)20-18-21-15-4-2-1-3-14(15)17(25)22-18/h12-13H,1-11H2,(H,19,24)(H2,20,21,22,25)
InChIKeyFQYCZIGUVHDCGR-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.80
Rot. Bonds5

About N-cyclopropyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide

N-cyclopropyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide (PubChem CID 135515965) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide
PubChem CID135515965
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-cyclopropyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1)NC1CC1
InChIInChI=1S/C18H27N5O2/c24-16(19-12-5-6-12)11-23-9-7-13(8-10-23)20-18-21-15-4-2-1-3-14(15)17(25)22-18/h12-13H,1-11H2,(H,19,24)(H2,20,21,22,25)
InChIKeyFQYCZIGUVHDCGR-UHFFFAOYSA-N
XLogP0.80
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide (CID 135515965) is N-cyclopropyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide is O=C(CN1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is FQYCZIGUVHDCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c24-16(19-12-5-6-12)11-23-9-7-13(8-10-23)20-18-21-15-4-2-1-3-14(15)17(25)22-18/h12-13H,1-11H2,(H,19,24)(H2,20,21,22,25).
What are the key properties of N-cyclopropyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide?
N-cyclopropyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 135515965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).