(2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid

C15H18N4O2 — CID 67089806

IUPAC(2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC[C@H]1CNc1ncnc2ccccc12
InChIInChI=1S/C15H18N4O2/c20-15(21)19-8-4-3-5-11(19)9-16-14-12-6-1-2-7-13(12)17-10-18-14/h1-2,6-7,10-11H,3-5,8-9H2,(H,20,21)(H,16,17,18)/t11-/m0/s1
InChIKeyHJFWRWVWPLJSMT-NSHDSACASA-N
MW286.33 g/mol
LogP2.57
Rot. Bonds3

About (2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid

(2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid (PubChem CID 67089806) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid
PubChem CID67089806
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC[C@H]1CNc1ncnc2ccccc12
InChIInChI=1S/C15H18N4O2/c20-15(21)19-8-4-3-5-11(19)9-16-14-12-6-1-2-7-13(12)17-10-18-14/h1-2,6-7,10-11H,3-5,8-9H2,(H,20,21)(H,16,17,18)/t11-/m0/s1
InChIKeyHJFWRWVWPLJSMT-NSHDSACASA-N
XLogP2.57
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid
CID 67090908
N-[(2-aminocyclohexyl)methyl]quinazolin-4-amine
CID 64928662
1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one
CID 47121012
4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol
CID 106130913
1-[(2R)-2-ethylpiperidin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2403913
1-[(2S)-2-ethylpiperidin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2403911
2-[(quinazolin-4-ylamino)methyl]benzoic acid
CID 66776604
2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 67090810
N-[(1-cyclopentylpyrazol-3-yl)methyl]quinazolin-4-amine
CID 133385979
tert-butyl 2-[[(3-chloroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 71631697
1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one
CID 78761223
4-(cyclopentylmethylamino)quinazoline-2-carboxylic acid
CID 63869094

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid?
The IUPAC name of (2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid (CID 67089806) is (2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid is O=C(O)N1CCCC[C@H]1CNc1ncnc2ccccc12.
What is the InChIKey of (2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid?
The InChIKey is HJFWRWVWPLJSMT-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(21)19-8-4-3-5-11(19)9-16-14-12-6-1-2-7-13(12)17-10-18-14/h1-2,6-7,10-11H,3-5,8-9H2,(H,20,21)(H,16,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid?
(2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(quinazolin-4-ylamino)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67089806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).