1-acetyl-N-[(1R,2R)-2-[(4-tert-butyltriazol-1-yl)methyl]cyclopentyl]azetidine-3-carboxamide

C18H29N5O2 — CID 154767142

IUPAC1-acetyl-N-[(1R,2R)-2-[(4-tert-butyltriazol-1-yl)methyl]cyclopentyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)N[C@@H]2CCC[C@@H]2Cn2cc(C(C)(C)C)nn2)C1
InChIInChI=1S/C18H29N5O2/c1-12(24)22-8-14(9-22)17(25)19-15-7-5-6-13(15)10-23-11-16(20-21-23)18(2,3)4/h11,13-15H,5-10H2,1-4H3,(H,19,25)/t13-,15-/m1/s1
InChIKeyUCDNRKYSVFICGV-UKRRQHHQSA-N
MW347.46 g/mol
LogP1.34
Rot. Bonds4

About 1-acetyl-N-[(1R,2R)-2-[(4-tert-butyltriazol-1-yl)methyl]cyclopentyl]azetidine-3-carboxamide

1-acetyl-N-[(1R,2R)-2-[(4-tert-butyltriazol-1-yl)methyl]cyclopentyl]azetidine-3-carboxamide (PubChem CID 154767142) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-acetyl-N-[(1R,2R)-2-[(4-tert-butyltriazol-1-yl)methyl]cyclopentyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(1R,2R)-2-[(4-tert-butyltriazol-1-yl)methyl]cyclopentyl]azetidine-3-carboxamide
PubChem CID154767142
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name1-acetyl-N-[(1R,2R)-2-[(4-tert-butyltriazol-1-yl)methyl]cyclopentyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)N[C@@H]2CCC[C@@H]2Cn2cc(C(C)(C)C)nn2)C1
InChIInChI=1S/C18H29N5O2/c1-12(24)22-8-14(9-22)17(25)19-15-7-5-6-13(15)10-23-11-16(20-21-23)18(2,3)4/h11,13-15H,5-10H2,1-4H3,(H,19,25)/t13-,15-/m1/s1
InChIKeyUCDNRKYSVFICGV-UKRRQHHQSA-N
XLogP1.34
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(1R,2R)-2-[(4-tert-butyltriazol-1-yl)methyl]cyclopentyl]azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[(1R,2R)-2-[(4-tert-butyltriazol-1-yl)methyl]cyclopentyl]azetidine-3-carboxamide (CID 154767142) is 1-acetyl-N-[(1R,2R)-2-[(4-tert-butyltriazol-1-yl)methyl]cyclopentyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(1R,2R)-2-[(4-tert-butyltriazol-1-yl)methyl]cyclopentyl]azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[(1R,2R)-2-[(4-tert-butyltriazol-1-yl)methyl]cyclopentyl]azetidine-3-carboxamide is CC(=O)N1CC(C(=O)N[C@@H]2CCC[C@@H]2Cn2cc(C(C)(C)C)nn2)C1.
What is the InChIKey of 1-acetyl-N-[(1R,2R)-2-[(4-tert-butyltriazol-1-yl)methyl]cyclopentyl]azetidine-3-carboxamide?
The InChIKey is UCDNRKYSVFICGV-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-12(24)22-8-14(9-22)17(25)19-15-7-5-6-13(15)10-23-11-16(20-21-23)18(2,3)4/h11,13-15H,5-10H2,1-4H3,(H,19,25)/t13-,15-/m1/s1.
What are the key properties of 1-acetyl-N-[(1R,2R)-2-[(4-tert-butyltriazol-1-yl)methyl]cyclopentyl]azetidine-3-carboxamide?
1-acetyl-N-[(1R,2R)-2-[(4-tert-butyltriazol-1-yl)methyl]cyclopentyl]azetidine-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(1R,2R)-2-[(4-tert-butyltriazol-1-yl)methyl]cyclopentyl]azetidine-3-carboxamide is sourced from PubChem (CID 154767142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).