(1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C16H27N5O — CID 72905478

IUPAC(1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESCC(C)N1CCCC(C(=O)N2CCC(c3ncn[nH]3)CC2)C1
InChIInChI=1S/C16H27N5O/c1-12(2)21-7-3-4-14(10-21)16(22)20-8-5-13(6-9-20)15-17-11-18-19-15/h11-14H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyCKXMUKWGLQIPCN-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.63
Rot. Bonds3

About (1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

(1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 72905478) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is (1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID72905478
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name(1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESCC(C)N1CCCC(C(=O)N2CCC(c3ncn[nH]3)CC2)C1
InChIInChI=1S/C16H27N5O/c1-12(2)21-7-3-4-14(10-21)16(22)20-8-5-13(6-9-20)15-17-11-18-19-15/h11-14H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyCKXMUKWGLQIPCN-UHFFFAOYSA-N
XLogP1.63
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 72905478) is (1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is CC(C)N1CCCC(C(=O)N2CCC(c3ncn[nH]3)CC2)C1.
What is the InChIKey of (1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is CKXMUKWGLQIPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-12(2)21-7-3-4-14(10-21)16(22)20-8-5-13(6-9-20)15-17-11-18-19-15/h11-14H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of (1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
(1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 305.43 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpiperidin-3-yl)-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 72905478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).