2-[(3S)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide

C15H24N6O2 — CID 97134027

IUPAC2-[(3S)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC[C@H](C(=O)N2CCC(c3ncn[nH]3)CC2)C1
InChIInChI=1S/C15H24N6O2/c16-13(22)9-20-5-1-2-12(8-20)15(23)21-6-3-11(4-7-21)14-17-10-18-19-14/h10-12H,1-9H2,(H2,16,22)(H,17,18,19)/t12-/m0/s1
InChIKeyRKSPOPZVIMQOFZ-LBPRGKRZSA-N
MW320.40 g/mol
LogP-0.29
Rot. Bonds4

About 2-[(3S)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide

2-[(3S)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide (PubChem CID 97134027) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[(3S)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
PubChem CID97134027
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name2-[(3S)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC[C@H](C(=O)N2CCC(c3ncn[nH]3)CC2)C1
InChIInChI=1S/C15H24N6O2/c16-13(22)9-20-5-1-2-12(8-20)15(23)21-6-3-11(4-7-21)14-17-10-18-19-14/h10-12H,1-9H2,(H2,16,22)(H,17,18,19)/t12-/m0/s1
InChIKeyRKSPOPZVIMQOFZ-LBPRGKRZSA-N
XLogP-0.29
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[(3S)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide (CID 97134027) is 2-[(3S)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3S)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[(3S)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide is NC(=O)CN1CCC[C@H](C(=O)N2CCC(c3ncn[nH]3)CC2)C1.
What is the InChIKey of 2-[(3S)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The InChIKey is RKSPOPZVIMQOFZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N6O2/c16-13(22)9-20-5-1-2-12(8-20)15(23)21-6-3-11(4-7-21)14-17-10-18-19-14/h10-12H,1-9H2,(H2,16,22)(H,17,18,19)/t12-/m0/s1.
What are the key properties of 2-[(3S)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
2-[(3S)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide has a molecular weight of 320.40 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 97134027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).