1-[4-(propan-2-ylamino)quinazolin-2-yl]piperidine-4-carboxamide

C17H23N5O — CID 91966112

IUPAC1-[4-(propan-2-ylamino)quinazolin-2-yl]piperidine-4-carboxamide
SMILESCC(C)Nc1nc(N2CCC(C(N)=O)CC2)nc2ccccc12
InChIInChI=1S/C17H23N5O/c1-11(2)19-16-13-5-3-4-6-14(13)20-17(21-16)22-9-7-12(8-10-22)15(18)23/h3-6,11-12H,7-10H2,1-2H3,(H2,18,23)(H,19,20,21)
InChIKeyWMVSGGNKFPIJRT-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.15
Rot. Bonds4

About 1-[4-(propan-2-ylamino)quinazolin-2-yl]piperidine-4-carboxamide

1-[4-(propan-2-ylamino)quinazolin-2-yl]piperidine-4-carboxamide (PubChem CID 91966112) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-[4-(propan-2-ylamino)quinazolin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(propan-2-ylamino)quinazolin-2-yl]piperidine-4-carboxamide
PubChem CID91966112
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-[4-(propan-2-ylamino)quinazolin-2-yl]piperidine-4-carboxamide
SMILESCC(C)Nc1nc(N2CCC(C(N)=O)CC2)nc2ccccc12
InChIInChI=1S/C17H23N5O/c1-11(2)19-16-13-5-3-4-6-14(13)20-17(21-16)22-9-7-12(8-10-22)15(18)23/h3-6,11-12H,7-10H2,1-2H3,(H2,18,23)(H,19,20,21)
InChIKeyWMVSGGNKFPIJRT-UHFFFAOYSA-N
XLogP2.15
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(propan-2-ylamino)quinazolin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(propan-2-ylamino)quinazolin-2-yl]piperidine-4-carboxamide (CID 91966112) is 1-[4-(propan-2-ylamino)quinazolin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(propan-2-ylamino)quinazolin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(propan-2-ylamino)quinazolin-2-yl]piperidine-4-carboxamide is CC(C)Nc1nc(N2CCC(C(N)=O)CC2)nc2ccccc12.
What is the InChIKey of 1-[4-(propan-2-ylamino)quinazolin-2-yl]piperidine-4-carboxamide?
The InChIKey is WMVSGGNKFPIJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-11(2)19-16-13-5-3-4-6-14(13)20-17(21-16)22-9-7-12(8-10-22)15(18)23/h3-6,11-12H,7-10H2,1-2H3,(H2,18,23)(H,19,20,21).
What are the key properties of 1-[4-(propan-2-ylamino)quinazolin-2-yl]piperidine-4-carboxamide?
1-[4-(propan-2-ylamino)quinazolin-2-yl]piperidine-4-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(propan-2-ylamino)quinazolin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91966112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).