N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-carboxamide

C10H17N5O — CID 64529547

IUPACN-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ncn[nH]1)C1CCCNC1
InChIInChI=1S/C10H17N5O/c16-10(8-2-1-4-11-6-8)12-5-3-9-13-7-14-15-9/h7-8,11H,1-6H2,(H,12,16)(H,13,14,15)
InChIKeyPFKILNTXOXTTNW-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.54
Rot. Bonds4

About N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-carboxamide

N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-carboxamide (PubChem CID 64529547) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-carboxamide
PubChem CID64529547
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ncn[nH]1)C1CCCNC1
InChIInChI=1S/C10H17N5O/c16-10(8-2-1-4-11-6-8)12-5-3-9-13-7-14-15-9/h7-8,11H,1-6H2,(H,12,16)(H,13,14,15)
InChIKeyPFKILNTXOXTTNW-UHFFFAOYSA-N
XLogP-0.54
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-carboxamide (CID 64529547) is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-carboxamide is O=C(NCCc1ncn[nH]1)C1CCCNC1.
What is the InChIKey of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is PFKILNTXOXTTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c16-10(8-2-1-4-11-6-8)12-5-3-9-13-7-14-15-9/h7-8,11H,1-6H2,(H,12,16)(H,13,14,15).
What are the key properties of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-carboxamide?
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 64529547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).