1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-3-methylimidazolidin-2-one

C14H23N7O — CID 56780089

IUPAC1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(C2CCN(Cc3nnnn3C3CC3)CC2)C1=O
InChIInChI=1S/C14H23N7O/c1-18-8-9-20(14(18)22)11-4-6-19(7-5-11)10-13-15-16-17-21(13)12-2-3-12/h11-12H,2-10H2,1H3
InChIKeyOBYFKIKHWFXTRL-UHFFFAOYSA-N
MW305.39 g/mol
LogP0.34
Rot. Bonds4

About 1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-3-methylimidazolidin-2-one

1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-3-methylimidazolidin-2-one (PubChem CID 56780089) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is 1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-3-methylimidazolidin-2-one
PubChem CID56780089
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(C2CCN(Cc3nnnn3C3CC3)CC2)C1=O
InChIInChI=1S/C14H23N7O/c1-18-8-9-20(14(18)22)11-4-6-19(7-5-11)10-13-15-16-17-21(13)12-2-3-12/h11-12H,2-10H2,1H3
InChIKeyOBYFKIKHWFXTRL-UHFFFAOYSA-N
XLogP0.34
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-3-methylimidazolidin-2-one (CID 56780089) is 1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-3-methylimidazolidin-2-one is CN1CCN(C2CCN(Cc3nnnn3C3CC3)CC2)C1=O.
What is the InChIKey of 1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-3-methylimidazolidin-2-one?
The InChIKey is OBYFKIKHWFXTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O/c1-18-8-9-20(14(18)22)11-4-6-19(7-5-11)10-13-15-16-17-21(13)12-2-3-12/h11-12H,2-10H2,1H3.
What are the key properties of 1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-3-methylimidazolidin-2-one?
1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-3-methylimidazolidin-2-one has a molecular weight of 305.39 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 56780089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).