N-(3-imidazol-1-ylpropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide

C16H26N8O — CID 42197612

IUPACN-(3-imidazol-1-ylpropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)NCCCn2ccnc2)CC1
InChIInChI=1S/C16H26N8O/c1-14-3-8-22(9-4-14)11-15-19-20-21-24(15)12-16(25)18-5-2-7-23-10-6-17-13-23/h6,10,13-14H,2-5,7-9,11-12H2,1H3,(H,18,25)
InChIKeyYVYFXTPUSHKHGK-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.31
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide

N-(3-imidazol-1-ylpropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide (PubChem CID 42197612) has the molecular formula C16H26N8O and a molecular weight of 346.44 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
PubChem CID42197612
Molecular FormulaC16H26N8O
Molecular Weight346.44 g/mol
Exact Mass346.22
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)NCCCn2ccnc2)CC1
InChIInChI=1S/C16H26N8O/c1-14-3-8-22(9-4-14)11-15-19-20-21-24(15)12-16(25)18-5-2-7-23-10-6-17-13-23/h6,10,13-14H,2-5,7-9,11-12H2,1H3,(H,18,25)
InChIKeyYVYFXTPUSHKHGK-UHFFFAOYSA-N
XLogP0.31
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-imidazol-1-ylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 53505813
3-(1H-imidazol-2-yl)-1-[3-(4H-1,2,4-triazol-4-yl)propanoyl]piperidine
CID 70763873
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 71880820
N,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 71915621
N-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-2-(2-isopropyl-1H-imidazol-1-yl)propanamide
CID 72860398
4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine
CID 72871457
4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-[(1-methylcyclopropyl)carbonyl]piperidine
CID 72899496
N-[2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-2-(2-isopropyl-1H-imidazol-1-yl)propanamide
CID 72922086
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 86769639
1-[(4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)carbonyl]cyclopropanamine
CID 72851669
N,N-dimethyl-3-(2-{1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3-piperidinyl}-1H-imidazol-1-yl)-1-propanamine
CID 72888327
[3-(4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-piperidinyl)-3-oxopropyl]amine dihydrochloride
CID 72893405

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide (CID 42197612) is N-(3-imidazol-1-ylpropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide is CC1CCN(Cc2nnnn2CC(=O)NCCCn2ccnc2)CC1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The InChIKey is YVYFXTPUSHKHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N8O/c1-14-3-8-22(9-4-14)11-15-19-20-21-24(15)12-16(25)18-5-2-7-23-10-6-17-13-23/h6,10,13-14H,2-5,7-9,11-12H2,1H3,(H,18,25).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
N-(3-imidazol-1-ylpropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide has a molecular weight of 346.44 g/mol, XLogP of 0.31, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 42197612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).