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

C21H33N5O2 — CID 136761465

IUPACN-cyclohexyl-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)NC1CCCCC1
InChIInChI=1S/C21H33N5O2/c27-19(22-15-6-2-1-3-7-15)14-26-12-10-16(11-13-26)23-21-24-18-9-5-4-8-17(18)20(28)25-21/h15-16H,1-14H2,(H,22,27)(H2,23,24,25,28)
InChIKeyYOHHWDVWYBTHTA-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.97
Rot. Bonds5

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

N-cyclohexyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide (PubChem CID 136761465) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide
PubChem CID136761465
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC NameN-cyclohexyl-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)NC1CCCCC1
InChIInChI=1S/C21H33N5O2/c27-19(22-15-6-2-1-3-7-15)14-26-12-10-16(11-13-26)23-21-24-18-9-5-4-8-17(18)20(28)25-21/h15-16H,1-14H2,(H,22,27)(H2,23,24,25,28)
InChIKeyYOHHWDVWYBTHTA-UHFFFAOYSA-N
XLogP1.97
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide (CID 136761465) is N-cyclohexyl-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-cyclohexyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-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)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is YOHHWDVWYBTHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c27-19(22-15-6-2-1-3-7-15)14-26-12-10-16(11-13-26)23-21-24-18-9-5-4-8-17(18)20(28)25-21/h15-16H,1-14H2,(H,22,27)(H2,23,24,25,28).
What are the key properties of N-cyclohexyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide?
N-cyclohexyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 387.53 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 136761465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).