1-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-(triazol-2-yl)ethanone

C15H25N5O — CID 118766566

IUPAC1-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-(triazol-2-yl)ethanone
SMILESCC(C1CCN(C(=O)Cn2nccn2)CC1)N1CCCC1
InChIInChI=1S/C15H25N5O/c1-13(18-8-2-3-9-18)14-4-10-19(11-5-14)15(21)12-20-16-6-7-17-20/h6-7,13-14H,2-5,8-12H2,1H3
InChIKeyCKOLKHRXKVPSSW-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.00
Rot. Bonds4

About 1-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-(triazol-2-yl)ethanone

1-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-(triazol-2-yl)ethanone (PubChem CID 118766566) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-(triazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-(triazol-2-yl)ethanone
PubChem CID118766566
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-(triazol-2-yl)ethanone
SMILESCC(C1CCN(C(=O)Cn2nccn2)CC1)N1CCCC1
InChIInChI=1S/C15H25N5O/c1-13(18-8-2-3-9-18)14-4-10-19(11-5-14)15(21)12-20-16-6-7-17-20/h6-7,13-14H,2-5,8-12H2,1H3
InChIKeyCKOLKHRXKVPSSW-UHFFFAOYSA-N
XLogP1.00
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 126899815
CID 126899815
CID 58508992
CID 58508992
CID 66898091
CID 66898091
CID 167456513
CID 167456513
CID 167456514
CID 167456514
CID 167456550
CID 167456550
CID 167456567
CID 167456567
CID 167456759
CID 167456759
CID 169621335
CID 169621335
CID 118789103
CID 118789103
CID 120949685
CID 120949685
CID 121019076
CID 121019076

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-(triazol-2-yl)ethanone?
The IUPAC name of 1-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-(triazol-2-yl)ethanone (CID 118766566) is 1-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-(triazol-2-yl)ethanone.
What is the SMILES notation for 1-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-(triazol-2-yl)ethanone?
The canonical SMILES for 1-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-(triazol-2-yl)ethanone is CC(C1CCN(C(=O)Cn2nccn2)CC1)N1CCCC1.
What is the InChIKey of 1-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-(triazol-2-yl)ethanone?
The InChIKey is CKOLKHRXKVPSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-13(18-8-2-3-9-18)14-4-10-19(11-5-14)15(21)12-20-16-6-7-17-20/h6-7,13-14H,2-5,8-12H2,1H3.
What are the key properties of 1-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-(triazol-2-yl)ethanone?
1-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-(triazol-2-yl)ethanone has a molecular weight of 291.40 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-2-(triazol-2-yl)ethanone is sourced from PubChem (CID 118766566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).