N,N-dimethyl-2-[4-(1H-1,2,4-triazol-5-ylmethylamino)piperidin-1-yl]acetamide

C12H22N6O — CID 54885071

IUPACN,N-dimethyl-2-[4-(1H-1,2,4-triazol-5-ylmethylamino)piperidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC(NCc2ncn[nH]2)CC1
InChIInChI=1S/C12H22N6O/c1-17(2)12(19)8-18-5-3-10(4-6-18)13-7-11-14-9-15-16-11/h9-10,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyCSQLTPFFVOJQJW-UHFFFAOYSA-N
MW266.35 g/mol
LogP-0.55
Rot. Bonds5

About N,N-dimethyl-2-[4-(1H-1,2,4-triazol-5-ylmethylamino)piperidin-1-yl]acetamide

N,N-dimethyl-2-[4-(1H-1,2,4-triazol-5-ylmethylamino)piperidin-1-yl]acetamide (PubChem CID 54885071) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(1H-1,2,4-triazol-5-ylmethylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(1H-1,2,4-triazol-5-ylmethylamino)piperidin-1-yl]acetamide
PubChem CID54885071
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC NameN,N-dimethyl-2-[4-(1H-1,2,4-triazol-5-ylmethylamino)piperidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC(NCc2ncn[nH]2)CC1
InChIInChI=1S/C12H22N6O/c1-17(2)12(19)8-18-5-3-10(4-6-18)13-7-11-14-9-15-16-11/h9-10,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyCSQLTPFFVOJQJW-UHFFFAOYSA-N
XLogP-0.55
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(1H-1,2,4-triazol-5-ylmethylamino)piperidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-(1H-1,2,4-triazol-5-ylmethylamino)piperidin-1-yl]acetamide (CID 54885071) is N,N-dimethyl-2-[4-(1H-1,2,4-triazol-5-ylmethylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(1H-1,2,4-triazol-5-ylmethylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(1H-1,2,4-triazol-5-ylmethylamino)piperidin-1-yl]acetamide is CN(C)C(=O)CN1CCC(NCc2ncn[nH]2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-(1H-1,2,4-triazol-5-ylmethylamino)piperidin-1-yl]acetamide?
The InChIKey is CSQLTPFFVOJQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-17(2)12(19)8-18-5-3-10(4-6-18)13-7-11-14-9-15-16-11/h9-10,13H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of N,N-dimethyl-2-[4-(1H-1,2,4-triazol-5-ylmethylamino)piperidin-1-yl]acetamide?
N,N-dimethyl-2-[4-(1H-1,2,4-triazol-5-ylmethylamino)piperidin-1-yl]acetamide has a molecular weight of 266.35 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(1H-1,2,4-triazol-5-ylmethylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 54885071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).