N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(tetrazol-1-yl)propanamide

C20H30N6O — CID 24819184

IUPACN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(tetrazol-1-yl)propanamide
SMILESCC(C)Cc1ccc(CN2CCCC(NC(=O)CCn3cnnn3)C2)cc1
InChIInChI=1S/C20H30N6O/c1-16(2)12-17-5-7-18(8-6-17)13-25-10-3-4-19(14-25)22-20(27)9-11-26-15-21-23-24-26/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,22,27)
InChIKeySRDNOXDOTPINBG-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.04
Rot. Bonds8

About N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(tetrazol-1-yl)propanamide

N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(tetrazol-1-yl)propanamide (PubChem CID 24819184) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(tetrazol-1-yl)propanamide
PubChem CID24819184
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC NameN-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(tetrazol-1-yl)propanamide
SMILESCC(C)Cc1ccc(CN2CCCC(NC(=O)CCn3cnnn3)C2)cc1
InChIInChI=1S/C20H30N6O/c1-16(2)12-17-5-7-18(8-6-17)13-25-10-3-4-19(14-25)22-20(27)9-11-26-15-21-23-24-26/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,22,27)
InChIKeySRDNOXDOTPINBG-UHFFFAOYSA-N
XLogP2.04
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(tetrazol-1-yl)propanamide (CID 24819184) is N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(tetrazol-1-yl)propanamide is CC(C)Cc1ccc(CN2CCCC(NC(=O)CCn3cnnn3)C2)cc1.
What is the InChIKey of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is SRDNOXDOTPINBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-16(2)12-17-5-7-18(8-6-17)13-25-10-3-4-19(14-25)22-20(27)9-11-26-15-21-23-24-26/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,22,27).
What are the key properties of N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(tetrazol-1-yl)propanamide?
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 370.50 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 24819184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).