1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]propan-1-one

C20H35N7O2 — CID 164632299

IUPAC1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@](NCCN2CCOCC2)(c2nnnn2C2CCCC2)C1
InChIInChI=1S/C20H35N7O2/c1-2-18(28)26-10-5-8-20(16-26,21-9-11-25-12-14-29-15-13-25)19-22-23-24-27(19)17-6-3-4-7-17/h17,21H,2-16H2,1H3/t20-/m0/s1
InChIKeyLQPOFNBRTZWXMX-FQEVSTJZSA-N
MW405.55 g/mol
LogP0.94
Rot. Bonds7

About 1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]propan-1-one

1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]propan-1-one (PubChem CID 164632299) has the molecular formula C20H35N7O2 and a molecular weight of 405.55 g/mol. Its IUPAC name is 1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]propan-1-one
PubChem CID164632299
Molecular FormulaC20H35N7O2
Molecular Weight405.55 g/mol
Exact Mass405.29
IUPAC Name1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@](NCCN2CCOCC2)(c2nnnn2C2CCCC2)C1
InChIInChI=1S/C20H35N7O2/c1-2-18(28)26-10-5-8-20(16-26,21-9-11-25-12-14-29-15-13-25)19-22-23-24-27(19)17-6-3-4-7-17/h17,21H,2-16H2,1H3/t20-/m0/s1
InChIKeyLQPOFNBRTZWXMX-FQEVSTJZSA-N
XLogP0.94
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]propan-1-one (CID 164632299) is 1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@@](NCCN2CCOCC2)(c2nnnn2C2CCCC2)C1.
What is the InChIKey of 1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]propan-1-one?
The InChIKey is LQPOFNBRTZWXMX-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H35N7O2/c1-2-18(28)26-10-5-8-20(16-26,21-9-11-25-12-14-29-15-13-25)19-22-23-24-27(19)17-6-3-4-7-17/h17,21H,2-16H2,1H3/t20-/m0/s1.
What are the key properties of 1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]propan-1-one?
1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]propan-1-one has a molecular weight of 405.55 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(2-morpholin-4-ylethylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 164632299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).