N-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide

C19H35N3O2 — CID 164632263

IUPACN-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCC(=O)N(CCN1CCCCC1)[C@H]1CCCN(C(=O)CC(C)C)C1
InChIInChI=1S/C19H35N3O2/c1-16(2)14-19(24)21-11-7-8-18(15-21)22(17(3)23)13-12-20-9-5-4-6-10-20/h16,18H,4-15H2,1-3H3/t18-/m0/s1
InChIKeyLLIYLVOEALTVGV-SFHVURJKSA-N
MW337.51 g/mol
LogP2.36
Rot. Bonds6

About N-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide

N-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 164632263) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID164632263
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC NameN-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCC(=O)N(CCN1CCCCC1)[C@H]1CCCN(C(=O)CC(C)C)C1
InChIInChI=1S/C19H35N3O2/c1-16(2)14-19(24)21-11-7-8-18(15-21)22(17(3)23)13-12-20-9-5-4-6-10-20/h16,18H,4-15H2,1-3H3/t18-/m0/s1
InChIKeyLLIYLVOEALTVGV-SFHVURJKSA-N
XLogP2.36
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of N-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide (CID 164632263) is N-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for N-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for N-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide is CC(=O)N(CCN1CCCCC1)[C@H]1CCCN(C(=O)CC(C)C)C1.
What is the InChIKey of N-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is LLIYLVOEALTVGV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-16(2)14-19(24)21-11-7-8-18(15-21)22(17(3)23)13-12-20-9-5-4-6-10-20/h16,18H,4-15H2,1-3H3/t18-/m0/s1.
What are the key properties of N-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide?
N-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 337.51 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 164632263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).