2-methyl-N-[(3S)-1-propanoylpiperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide

C19H35N3O2 — CID 164639302

IUPAC2-methyl-N-[(3S)-1-propanoylpiperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
SMILESCCC(=O)N1CCC[C@H](N(CCCN2CCCC2)C(=O)C(C)C)C1
InChIInChI=1S/C19H35N3O2/c1-4-18(23)21-13-7-9-17(15-21)22(19(24)16(2)3)14-8-12-20-10-5-6-11-20/h16-17H,4-15H2,1-3H3/t17-/m0/s1
InChIKeyKOWIZXZMCLVYND-KRWDZBQOSA-N
MW337.51 g/mol
LogP2.36
Rot. Bonds7

About 2-methyl-N-[(3S)-1-propanoylpiperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide

2-methyl-N-[(3S)-1-propanoylpiperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 164639302) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-1-propanoylpiperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3S)-1-propanoylpiperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
PubChem CID164639302
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name2-methyl-N-[(3S)-1-propanoylpiperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
SMILESCCC(=O)N1CCC[C@H](N(CCCN2CCCC2)C(=O)C(C)C)C1
InChIInChI=1S/C19H35N3O2/c1-4-18(23)21-13-7-9-17(15-21)22(19(24)16(2)3)14-8-12-20-10-5-6-11-20/h16-17H,4-15H2,1-3H3/t17-/m0/s1
InChIKeyKOWIZXZMCLVYND-KRWDZBQOSA-N
XLogP2.36
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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 2-methyl-N-[(3S)-1-propanoylpiperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 2-methyl-N-[(3S)-1-propanoylpiperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide (CID 164639302) is 2-methyl-N-[(3S)-1-propanoylpiperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-methyl-N-[(3S)-1-propanoylpiperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 2-methyl-N-[(3S)-1-propanoylpiperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide is CCC(=O)N1CCC[C@H](N(CCCN2CCCC2)C(=O)C(C)C)C1.
What is the InChIKey of 2-methyl-N-[(3S)-1-propanoylpiperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is KOWIZXZMCLVYND-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-4-18(23)21-13-7-9-17(15-21)22(19(24)16(2)3)14-8-12-20-10-5-6-11-20/h16-17H,4-15H2,1-3H3/t17-/m0/s1.
What are the key properties of 2-methyl-N-[(3S)-1-propanoylpiperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide?
2-methyl-N-[(3S)-1-propanoylpiperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 337.51 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-1-propanoylpiperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 164639302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).