1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one

C14H25N7O — CID 95585835

IUPAC1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one
SMILESCCCCn1nnnc1CN1CCC[C@H](N2CCNC2=O)C1
InChIInChI=1S/C14H25N7O/c1-2-3-8-21-13(16-17-18-21)11-19-7-4-5-12(10-19)20-9-6-15-14(20)22/h12H,2-11H2,1H3,(H,15,22)/t12-/m0/s1
InChIKeyUAHIQWHFCCVESY-LBPRGKRZSA-N
MW307.40 g/mol
LogP0.46
Rot. Bonds6

About 1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one

1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 95585835) has the molecular formula C14H25N7O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID95585835
Molecular FormulaC14H25N7O
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC Name1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one
SMILESCCCCn1nnnc1CN1CCC[C@H](N2CCNC2=O)C1
InChIInChI=1S/C14H25N7O/c1-2-3-8-21-13(16-17-18-21)11-19-7-4-5-12(10-19)20-9-6-15-14(20)22/h12H,2-11H2,1H3,(H,15,22)/t12-/m0/s1
InChIKeyUAHIQWHFCCVESY-LBPRGKRZSA-N
XLogP0.46
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one (CID 95585835) is 1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one is CCCCn1nnnc1CN1CCC[C@H](N2CCNC2=O)C1.
What is the InChIKey of 1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is UAHIQWHFCCVESY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N7O/c1-2-3-8-21-13(16-17-18-21)11-19-7-4-5-12(10-19)20-9-6-15-14(20)22/h12H,2-11H2,1H3,(H,15,22)/t12-/m0/s1.
What are the key properties of 1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one?
1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 307.40 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[(1-butyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 95585835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).