N-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide

C17H23N5O3S — CID 167848756

IUPACN-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(Nc2ncnc3ccc(S(C)(=O)=O)cc23)CC1
InChIInChI=1S/C17H23N5O3S/c1-18-16(23)10-22-7-5-12(6-8-22)21-17-14-9-13(26(2,24)25)3-4-15(14)19-11-20-17/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyPHTYPVKQBJURAA-UHFFFAOYSA-N
MW377.47 g/mol
LogP0.66
Rot. Bonds5

About N-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide

N-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide (PubChem CID 167848756) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide
PubChem CID167848756
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC NameN-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(Nc2ncnc3ccc(S(C)(=O)=O)cc23)CC1
InChIInChI=1S/C17H23N5O3S/c1-18-16(23)10-22-7-5-12(6-8-22)21-17-14-9-13(26(2,24)25)3-4-15(14)19-11-20-17/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyPHTYPVKQBJURAA-UHFFFAOYSA-N
XLogP0.66
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 136522623
6-methylsulfonyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinazolin-4-amine
CID 119049563
N-(1,1-dioxothian-3-yl)-6-methylsulfonylquinazolin-4-amine
CID 154740242
N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-6-methylsulfonylquinazolin-4-amine
CID 90446551
6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine
CID 124843608
2-[4-[(7-chloroquinazolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 133296788
6-methylsulfonyl-N-[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-1H-inden-2-yl]quinazolin-4-amine
CID 123549718
2-[4-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]piperidin-1-yl]-N-methylacetamide
CID 164870310
6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine
CID 119049485
N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine
CID 162366578
4-N,4-N-dimethyl-1-N-[6-(5-methylsulfonyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine
CID 130446877
N-(1-benzylsulfonylpiperidin-4-yl)-6-methylquinazolin-4-amine
CID 133306585

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide (CID 167848756) is N-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide is CNC(=O)CN1CCC(Nc2ncnc3ccc(S(C)(=O)=O)cc23)CC1.
What is the InChIKey of N-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is PHTYPVKQBJURAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-18-16(23)10-22-7-5-12(6-8-22)21-17-14-9-13(26(2,24)25)3-4-15(14)19-11-20-17/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,18,23)(H,19,20,21).
What are the key properties of N-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide?
N-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 167848756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).