1-(cyclopropanecarbonyl)-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide

C14H21N5O3 — CID 167826070

IUPAC1-(cyclopropanecarbonyl)-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2ncn[nH]2)CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H21N5O3/c1-22-14(13(21)15-8-11-16-9-17-18-11)4-6-19(7-5-14)12(20)10-2-3-10/h9-10H,2-8H2,1H3,(H,15,21)(H,16,17,18)
InChIKeySUMHFCWEHRLXAA-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.16
Rot. Bonds5

About 1-(cyclopropanecarbonyl)-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide (PubChem CID 167826070) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide
PubChem CID167826070
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name1-(cyclopropanecarbonyl)-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2ncn[nH]2)CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H21N5O3/c1-22-14(13(21)15-8-11-16-9-17-18-11)4-6-19(7-5-14)12(20)10-2-3-10/h9-10H,2-8H2,1H3,(H,15,21)(H,16,17,18)
InChIKeySUMHFCWEHRLXAA-UHFFFAOYSA-N
XLogP-0.16
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide (CID 167826070) is 1-(cyclopropanecarbonyl)-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide is COC1(C(=O)NCc2ncn[nH]2)CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide?
The InChIKey is SUMHFCWEHRLXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-22-14(13(21)15-8-11-16-9-17-18-11)4-6-19(7-5-14)12(20)10-2-3-10/h9-10H,2-8H2,1H3,(H,15,21)(H,16,17,18).
What are the key properties of 1-(cyclopropanecarbonyl)-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide has a molecular weight of 307.35 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 167826070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).