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

C19H35N7O2 — CID 164635099

IUPAC1-[(3S)-3-(dimethylamino)-3-[1-(3-methylbutyl)tetrazol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCC(C)CCn1nnnc1[C@]1(N(C)C)CCCN(C(=O)CN2CCOCC2)C1
InChIInChI=1S/C19H35N7O2/c1-16(2)6-9-26-18(20-21-22-26)19(23(3)4)7-5-8-25(15-19)17(27)14-24-10-12-28-13-11-24/h16H,5-15H2,1-4H3/t19-/m0/s1
InChIKeyRUQCNEDRVYPZBR-IBGZPJMESA-N
MW393.54 g/mol
LogP0.43
Rot. Bonds7

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

1-[(3S)-3-(dimethylamino)-3-[1-(3-methylbutyl)tetrazol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 164635099) has the molecular formula C19H35N7O2 and a molecular weight of 393.54 g/mol. Its IUPAC name is 1-[(3S)-3-(dimethylamino)-3-[1-(3-methylbutyl)tetrazol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[(3S)-3-(dimethylamino)-3-[1-(3-methylbutyl)tetrazol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID164635099
Molecular FormulaC19H35N7O2
Molecular Weight393.54 g/mol
Exact Mass393.29
IUPAC Name1-[(3S)-3-(dimethylamino)-3-[1-(3-methylbutyl)tetrazol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCC(C)CCn1nnnc1[C@]1(N(C)C)CCCN(C(=O)CN2CCOCC2)C1
InChIInChI=1S/C19H35N7O2/c1-16(2)6-9-26-18(20-21-22-26)19(23(3)4)7-5-8-25(15-19)17(27)14-24-10-12-28-13-11-24/h16H,5-15H2,1-4H3/t19-/m0/s1
InChIKeyRUQCNEDRVYPZBR-IBGZPJMESA-N
XLogP0.43
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(dimethylamino)-3-[1-(3-methylbutyl)tetrazol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[(3S)-3-(dimethylamino)-3-[1-(3-methylbutyl)tetrazol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone (CID 164635099) is 1-[(3S)-3-(dimethylamino)-3-[1-(3-methylbutyl)tetrazol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[(3S)-3-(dimethylamino)-3-[1-(3-methylbutyl)tetrazol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[(3S)-3-(dimethylamino)-3-[1-(3-methylbutyl)tetrazol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone is CC(C)CCn1nnnc1[C@]1(N(C)C)CCCN(C(=O)CN2CCOCC2)C1.
What is the InChIKey of 1-[(3S)-3-(dimethylamino)-3-[1-(3-methylbutyl)tetrazol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is RUQCNEDRVYPZBR-IBGZPJMESA-N. The full InChI is InChI=1S/C19H35N7O2/c1-16(2)6-9-26-18(20-21-22-26)19(23(3)4)7-5-8-25(15-19)17(27)14-24-10-12-28-13-11-24/h16H,5-15H2,1-4H3/t19-/m0/s1.
What are the key properties of 1-[(3S)-3-(dimethylamino)-3-[1-(3-methylbutyl)tetrazol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
1-[(3S)-3-(dimethylamino)-3-[1-(3-methylbutyl)tetrazol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 393.54 g/mol, XLogP of 0.43, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(dimethylamino)-3-[1-(3-methylbutyl)tetrazol-5-yl]piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 164635099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).