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

C19H31N5O2 — CID 137058269

IUPACN,N-diethyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1
InChIInChI=1S/C19H31N5O2/c1-3-24(4-2)17(25)13-23-11-9-14(10-12-23)20-19-21-16-8-6-5-7-15(16)18(26)22-19/h14H,3-13H2,1-2H3,(H2,20,21,22,26)
InChIKeySSBGLLOSDARXDJ-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.39
Rot. Bonds6

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

N,N-diethyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide (PubChem CID 137058269) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide
PubChem CID137058269
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN,N-diethyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1
InChIInChI=1S/C19H31N5O2/c1-3-24(4-2)17(25)13-23-11-9-14(10-12-23)20-19-21-16-8-6-5-7-15(16)18(26)22-19/h14H,3-13H2,1-2H3,(H2,20,21,22,26)
InChIKeySSBGLLOSDARXDJ-UHFFFAOYSA-N
XLogP1.39
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Quinazolinol, 5,6,7,8-tetrahydro-2-(4-methyl-1-piperazinyl)-
CID 135417158
2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135417580
1,2,3,4,7,8,9,10-octahydro-6H-pyrimido[2,1-b]quinazolin-6-one
CID 135443711
2-(piperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135425126
N~1~-cyclohexyl-2-[4-oxo-5,6,7,8-tetrahydro-3(4H)-quinazolinyl]acetamide
CID 53014419
2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]acetamide
CID 135802705
N-[2-(Cyclohex-1-EN-1-YL)ethyl]-2-[4-methyl-6-oxo-2-(piperidin-1-YL)-1,6-dihydropyrimidin-1-YL]acetamide
CID 53201744
N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)piperazino]acetamide
CID 135515955
2-(piperazin-1-yl)-3H,4H,5H,6H,7H,8H,9H-cyclohepta[d]pyrimidin-4-one
CID 135515956
N-cyclopropyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide
CID 135515965
N-cyclohexyl-2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide
CID 135674466
N-cyclopentyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide
CID 135719646

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide (CID 137058269) is N,N-diethyl-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,N-diethyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide is CCN(CC)C(=O)CN1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is SSBGLLOSDARXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-3-24(4-2)17(25)13-23-11-9-14(10-12-23)20-19-21-16-8-6-5-7-15(16)18(26)22-19/h14H,3-13H2,1-2H3,(H2,20,21,22,26).
What are the key properties of N,N-diethyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide?
N,N-diethyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 137058269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).