N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide

C20H34N6O2 — CID 45208623

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C(=O)CCn2cncn2)CC1
InChIInChI=1S/C20H34N6O2/c1-2-24-10-3-4-18(24)14-22-19(27)6-5-17-7-11-25(12-8-17)20(28)9-13-26-16-21-15-23-26/h15-18H,2-14H2,1H3,(H,22,27)
InChIKeyALJFASJQGXXVKW-UHFFFAOYSA-N
MW390.53 g/mol
LogP1.29
Rot. Bonds9

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide (PubChem CID 45208623) has the molecular formula C20H34N6O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide
PubChem CID45208623
Molecular FormulaC20H34N6O2
Molecular Weight390.53 g/mol
Exact Mass390.27
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C(=O)CCn2cncn2)CC1
InChIInChI=1S/C20H34N6O2/c1-2-24-10-3-4-18(24)14-22-19(27)6-5-17-7-11-25(12-8-17)20(28)9-13-26-16-21-15-23-26/h15-18H,2-14H2,1H3,(H,22,27)
InChIKeyALJFASJQGXXVKW-UHFFFAOYSA-N
XLogP1.29
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide (CID 45208623) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide is CCN1CCCC1CNC(=O)CCC1CCN(C(=O)CCn2cncn2)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide?
The InChIKey is ALJFASJQGXXVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O2/c1-2-24-10-3-4-18(24)14-22-19(27)6-5-17-7-11-25(12-8-17)20(28)9-13-26-16-21-15-23-26/h15-18H,2-14H2,1H3,(H,22,27).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide has a molecular weight of 390.53 g/mol, XLogP of 1.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 45208623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).