N-[[1-(8-cyanoquinazolin-5-yl)piperidin-4-yl]methyl]-2-(diethylamino)acetamide

C21H28N6O — CID 129240957

IUPACN-[[1-(8-cyanoquinazolin-5-yl)piperidin-4-yl]methyl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)NCC1CCN(c2ccc(C#N)c3ncncc23)CC1
InChIInChI=1S/C21H28N6O/c1-3-26(4-2)14-20(28)24-12-16-7-9-27(10-8-16)19-6-5-17(11-22)21-18(19)13-23-15-25-21/h5-6,13,15-16H,3-4,7-10,12,14H2,1-2H3,(H,24,28)
InChIKeyUVUXSOBKOLZKAK-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.18
Rot. Bonds7

About N-[[1-(8-cyanoquinazolin-5-yl)piperidin-4-yl]methyl]-2-(diethylamino)acetamide

N-[[1-(8-cyanoquinazolin-5-yl)piperidin-4-yl]methyl]-2-(diethylamino)acetamide (PubChem CID 129240957) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[[1-(8-cyanoquinazolin-5-yl)piperidin-4-yl]methyl]-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-[[1-(8-cyanoquinazolin-5-yl)piperidin-4-yl]methyl]-2-(diethylamino)acetamide
PubChem CID129240957
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC NameN-[[1-(8-cyanoquinazolin-5-yl)piperidin-4-yl]methyl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)NCC1CCN(c2ccc(C#N)c3ncncc23)CC1
InChIInChI=1S/C21H28N6O/c1-3-26(4-2)14-20(28)24-12-16-7-9-27(10-8-16)19-6-5-17(11-22)21-18(19)13-23-15-25-21/h5-6,13,15-16H,3-4,7-10,12,14H2,1-2H3,(H,24,28)
InChIKeyUVUXSOBKOLZKAK-UHFFFAOYSA-N
XLogP2.18
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinazoline-8-carbonitrile
CID 129240771
(6R)-4-(8-cyanoquinazolin-5-yl)-6-methyl-N-(4-morpholin-4-ylcyclohexyl)morpholine-2-carboxamide
CID 146329170
N-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide
CID 102736286
5-[(3S,5S)-3-[3-[(3R,4S)-3-fluoropiperidin-4-yl]-2-oxopropyl]-5-methylpiperidin-1-yl]quinazoline-8-carbonitrile
CID 160536374
1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 129266493
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide
CID 121107725
4-(8-cyanoquinoxalin-5-yl)-N-[2-(diethylamino)ethyl]piperazine-1-carboxamide
CID 129265167
tert-butyl N-[[1-[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]azetidin-3-yl]methyl]carbamate
CID 167055427
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-(4-ethoxyphenyl)acetamide
CID 121108927
2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid
CID 68711598
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 121108857
2-[benzyl(ethyl)amino]-N-(cyclopropylmethyl)acetamide
CID 134038287

Frequently Asked Questions

What is the IUPAC name of N-[[1-(8-cyanoquinazolin-5-yl)piperidin-4-yl]methyl]-2-(diethylamino)acetamide?
The IUPAC name of N-[[1-(8-cyanoquinazolin-5-yl)piperidin-4-yl]methyl]-2-(diethylamino)acetamide (CID 129240957) is N-[[1-(8-cyanoquinazolin-5-yl)piperidin-4-yl]methyl]-2-(diethylamino)acetamide.
What is the SMILES notation for N-[[1-(8-cyanoquinazolin-5-yl)piperidin-4-yl]methyl]-2-(diethylamino)acetamide?
The canonical SMILES for N-[[1-(8-cyanoquinazolin-5-yl)piperidin-4-yl]methyl]-2-(diethylamino)acetamide is CCN(CC)CC(=O)NCC1CCN(c2ccc(C#N)c3ncncc23)CC1.
What is the InChIKey of N-[[1-(8-cyanoquinazolin-5-yl)piperidin-4-yl]methyl]-2-(diethylamino)acetamide?
The InChIKey is UVUXSOBKOLZKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-3-26(4-2)14-20(28)24-12-16-7-9-27(10-8-16)19-6-5-17(11-22)21-18(19)13-23-15-25-21/h5-6,13,15-16H,3-4,7-10,12,14H2,1-2H3,(H,24,28).
What are the key properties of N-[[1-(8-cyanoquinazolin-5-yl)piperidin-4-yl]methyl]-2-(diethylamino)acetamide?
N-[[1-(8-cyanoquinazolin-5-yl)piperidin-4-yl]methyl]-2-(diethylamino)acetamide has a molecular weight of 380.50 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(8-cyanoquinazolin-5-yl)piperidin-4-yl]methyl]-2-(diethylamino)acetamide is sourced from PubChem (CID 129240957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).