N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide

C15H26N6O — CID 44753578

IUPACN-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCN(Cc2nnnn2C2CC2)CC1
InChIInChI=1S/C15H26N6O/c1-15(2,3)14(22)16-11-6-8-20(9-7-11)10-13-17-18-19-21(13)12-4-5-12/h11-12H,4-10H2,1-3H3,(H,16,22)
InChIKeySEKNJWGMHNVWPX-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.13
Rot. Bonds4

About N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide

N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 44753578) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
PubChem CID44753578
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC NameN-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCN(Cc2nnnn2C2CC2)CC1
InChIInChI=1S/C15H26N6O/c1-15(2,3)14(22)16-11-6-8-20(9-7-11)10-13-17-18-19-21(13)12-4-5-12/h11-12H,4-10H2,1-3H3,(H,16,22)
InChIKeySEKNJWGMHNVWPX-UHFFFAOYSA-N
XLogP1.13
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide (CID 44753578) is N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CCN(Cc2nnnn2C2CC2)CC1.
What is the InChIKey of N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is SEKNJWGMHNVWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c1-15(2,3)14(22)16-11-6-8-20(9-7-11)10-13-17-18-19-21(13)12-4-5-12/h11-12H,4-10H2,1-3H3,(H,16,22).
What are the key properties of N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide?
N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 306.41 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 44753578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).