acetic acid;N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]benzamide

C24H30N6O4 — CID 70545034

IUPACacetic acid;N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]benzamide
SMILESCC(=O)O.O=C(NC1CCN(CCCOc2ccccc2-c2nn[nH]n2)CC1)c1ccccc1
InChIInChI=1S/C22H26N6O2.C2H4O2/c29-22(17-7-2-1-3-8-17)23-18-11-14-28(15-12-18)13-6-16-30-20-10-5-4-9-19(20)21-24-26-27-25-21;1-2(3)4/h1-5,7-10,18H,6,11-16H2,(H,23,29)(H,24,25,26,27);1H3,(H,3,4)
InChIKeyWUTRDDNMXBWPBV-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.62
Rot. Bonds8

About acetic acid;N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]benzamide

acetic acid;N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]benzamide (PubChem CID 70545034) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is acetic acid;N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Nameacetic acid;N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]benzamide
PubChem CID70545034
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC Nameacetic acid;N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]benzamide
SMILESCC(=O)O.O=C(NC1CCN(CCCOc2ccccc2-c2nn[nH]n2)CC1)c1ccccc1
InChIInChI=1S/C22H26N6O2.C2H4O2/c29-22(17-7-2-1-3-8-17)23-18-11-14-28(15-12-18)13-6-16-30-20-10-5-4-9-19(20)21-24-26-27-25-21;1-2(3)4/h1-5,7-10,18H,6,11-16H2,(H,23,29)(H,24,25,26,27);1H3,(H,3,4)
InChIKeyWUTRDDNMXBWPBV-UHFFFAOYSA-N
XLogP2.62
TPSA133.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 20525942
N-[1-(4-amino-4-oxobutyl)piperidin-4-yl]benzamide;methyl 4-(4-benzamidopiperidin-1-yl)butanoate
CID 21434692
4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
CID 34799426
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzamide
CID 33103457
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
1-(3-methylbutyl)-3-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]indole
CID 23444858
N-[1-[2-(3H-inden-1-yl)ethyl]piperidin-4-yl]benzamide
CID 21430607
N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide
CID 33104635
N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide
CID 57114875
N-[1-[3-[(3-oxo-2-propan-2-ylidene-1-benzofuran-4-yl)oxy]propyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 141006320
N-[1-[4-[9-(4-ethyl-5-methyl-1H-imidazol-2-yl)fluoren-9-yl]butyl]piperidin-4-yl]benzamide
CID 57223620
2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid
CID 91777421

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]benzamide?
The IUPAC name of acetic acid;N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]benzamide (CID 70545034) is acetic acid;N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]benzamide.
What is the SMILES notation for acetic acid;N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]benzamide?
The canonical SMILES for acetic acid;N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]benzamide is CC(=O)O.O=C(NC1CCN(CCCOc2ccccc2-c2nn[nH]n2)CC1)c1ccccc1.
What is the InChIKey of acetic acid;N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]benzamide?
The InChIKey is WUTRDDNMXBWPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2.C2H4O2/c29-22(17-7-2-1-3-8-17)23-18-11-14-28(15-12-18)13-6-16-30-20-10-5-4-9-19(20)21-24-26-27-25-21;1-2(3)4/h1-5,7-10,18H,6,11-16H2,(H,23,29)(H,24,25,26,27);1H3,(H,3,4).
What are the key properties of acetic acid;N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]benzamide?
acetic acid;N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]benzamide has a molecular weight of 466.54 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[1-[3-[2-(2H-tetrazol-5-yl)phenoxy]propyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 70545034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).