1-[(3S)-3-[1-(3-methylbutyl)tetrazol-5-yl]-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]ethanone

C19H35N7O2 — CID 164640016

IUPAC1-[(3S)-3-[1-(3-methylbutyl)tetrazol-5-yl]-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@](NCCN2CCOCC2)(c2nnnn2CCC(C)C)C1
InChIInChI=1S/C19H35N7O2/c1-16(2)5-9-26-18(21-22-23-26)19(6-4-8-25(15-19)17(3)27)20-7-10-24-11-13-28-14-12-24/h16,20H,4-15H2,1-3H3/t19-/m0/s1
InChIKeyKSCJHVLOXHEEKC-IBGZPJMESA-N
MW393.54 g/mol
LogP0.48
Rot. Bonds8

About 1-[(3S)-3-[1-(3-methylbutyl)tetrazol-5-yl]-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]ethanone

1-[(3S)-3-[1-(3-methylbutyl)tetrazol-5-yl]-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]ethanone (PubChem CID 164640016) has the molecular formula C19H35N7O2 and a molecular weight of 393.54 g/mol. Its IUPAC name is 1-[(3S)-3-[1-(3-methylbutyl)tetrazol-5-yl]-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[1-(3-methylbutyl)tetrazol-5-yl]-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]ethanone
PubChem CID164640016
Molecular FormulaC19H35N7O2
Molecular Weight393.54 g/mol
Exact Mass393.29
IUPAC Name1-[(3S)-3-[1-(3-methylbutyl)tetrazol-5-yl]-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@](NCCN2CCOCC2)(c2nnnn2CCC(C)C)C1
InChIInChI=1S/C19H35N7O2/c1-16(2)5-9-26-18(21-22-23-26)19(6-4-8-25(15-19)17(3)27)20-7-10-24-11-13-28-14-12-24/h16,20H,4-15H2,1-3H3/t19-/m0/s1
InChIKeyKSCJHVLOXHEEKC-IBGZPJMESA-N
XLogP0.48
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(3S)-3-[1-(3-methylbutyl)tetrazol-5-yl]-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[1-(3-methylbutyl)tetrazol-5-yl]-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[1-(3-methylbutyl)tetrazol-5-yl]-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]ethanone (CID 164640016) is 1-[(3S)-3-[1-(3-methylbutyl)tetrazol-5-yl]-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[1-(3-methylbutyl)tetrazol-5-yl]-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[1-(3-methylbutyl)tetrazol-5-yl]-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]ethanone is CC(=O)N1CCC[C@@](NCCN2CCOCC2)(c2nnnn2CCC(C)C)C1.
What is the InChIKey of 1-[(3S)-3-[1-(3-methylbutyl)tetrazol-5-yl]-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]ethanone?
The InChIKey is KSCJHVLOXHEEKC-IBGZPJMESA-N. The full InChI is InChI=1S/C19H35N7O2/c1-16(2)5-9-26-18(21-22-23-26)19(6-4-8-25(15-19)17(3)27)20-7-10-24-11-13-28-14-12-24/h16,20H,4-15H2,1-3H3/t19-/m0/s1.
What are the key properties of 1-[(3S)-3-[1-(3-methylbutyl)tetrazol-5-yl]-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]ethanone?
1-[(3S)-3-[1-(3-methylbutyl)tetrazol-5-yl]-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]ethanone has a molecular weight of 393.54 g/mol, XLogP of 0.48, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[1-(3-methylbutyl)tetrazol-5-yl]-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 164640016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).