N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide

C19H27N7O — CID 77086700

IUPACN-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide
SMILESCN1CCN(CC2(CNC(=O)c3ccc(-c4nnn(C)n4)cc3)CC2)CC1
InChIInChI=1S/C19H27N7O/c1-24-9-11-26(12-10-24)14-19(7-8-19)13-20-18(27)16-5-3-15(4-6-16)17-21-23-25(2)22-17/h3-6H,7-14H2,1-2H3,(H,20,27)
InChIKeyOXGJOHBLBVRDJT-UHFFFAOYSA-N
MW369.47 g/mol
LogP0.63
Rot. Bonds6

About N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide

N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide (PubChem CID 77086700) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide
PubChem CID77086700
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC NameN-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide
SMILESCN1CCN(CC2(CNC(=O)c3ccc(-c4nnn(C)n4)cc3)CC2)CC1
InChIInChI=1S/C19H27N7O/c1-24-9-11-26(12-10-24)14-19(7-8-19)13-20-18(27)16-5-3-15(4-6-16)17-21-23-25(2)22-17/h3-6H,7-14H2,1-2H3,(H,20,27)
InChIKeyOXGJOHBLBVRDJT-UHFFFAOYSA-N
XLogP0.63
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide (CID 77086700) is N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide is CN1CCN(CC2(CNC(=O)c3ccc(-c4nnn(C)n4)cc3)CC2)CC1.
What is the InChIKey of N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is OXGJOHBLBVRDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-24-9-11-26(12-10-24)14-19(7-8-19)13-20-18(27)16-5-3-15(4-6-16)17-21-23-25(2)22-17/h3-6H,7-14H2,1-2H3,(H,20,27).
What are the key properties of N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide?
N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 369.47 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 77086700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).