N-(3-methoxypropyl)-2-[(1-propylpiperidin-4-yl)amino]propanamide

C15H31N3O2 — CID 60722361

IUPACN-(3-methoxypropyl)-2-[(1-propylpiperidin-4-yl)amino]propanamide
SMILESCCCN1CCC(NC(C)C(=O)NCCCOC)CC1
InChIInChI=1S/C15H31N3O2/c1-4-9-18-10-6-14(7-11-18)17-13(2)15(19)16-8-5-12-20-3/h13-14,17H,4-12H2,1-3H3,(H,16,19)
InChIKeyPKJKLEFSRPETKK-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.99
Rot. Bonds9

About N-(3-methoxypropyl)-2-[(1-propylpiperidin-4-yl)amino]propanamide

N-(3-methoxypropyl)-2-[(1-propylpiperidin-4-yl)amino]propanamide (PubChem CID 60722361) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[(1-propylpiperidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[(1-propylpiperidin-4-yl)amino]propanamide
PubChem CID60722361
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC NameN-(3-methoxypropyl)-2-[(1-propylpiperidin-4-yl)amino]propanamide
SMILESCCCN1CCC(NC(C)C(=O)NCCCOC)CC1
InChIInChI=1S/C15H31N3O2/c1-4-9-18-10-6-14(7-11-18)17-13(2)15(19)16-8-5-12-20-3/h13-14,17H,4-12H2,1-3H3,(H,16,19)
InChIKeyPKJKLEFSRPETKK-UHFFFAOYSA-N
XLogP0.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 43400111
N-propyl-2-[(1-propylazepan-4-yl)amino]propanamide
CID 65074258
N-(3-methoxypropyl)-2-(oxan-4-ylamino)propanamide
CID 43610209
2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 43401252
N-ethyl-2-[(1-ethylpiperidin-4-yl)amino]propanamide
CID 43400100
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111019565
1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one
CID 60677287
methyl 2-methyl-3-[(1-propylpiperidin-4-yl)amino]butanoate
CID 79392073
N-(3-methoxypropyl)-2-[(2-methylcyclopropyl)amino]propanamide
CID 62398122
N-(4-methoxybutan-2-yl)-1-propylazepan-4-amine
CID 65078398
N-(3-methoxypropyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide
CID 60719611
2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide
CID 81395208

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[(1-propylpiperidin-4-yl)amino]propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-[(1-propylpiperidin-4-yl)amino]propanamide (CID 60722361) is N-(3-methoxypropyl)-2-[(1-propylpiperidin-4-yl)amino]propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[(1-propylpiperidin-4-yl)amino]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[(1-propylpiperidin-4-yl)amino]propanamide is CCCN1CCC(NC(C)C(=O)NCCCOC)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[(1-propylpiperidin-4-yl)amino]propanamide?
The InChIKey is PKJKLEFSRPETKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-4-9-18-10-6-14(7-11-18)17-13(2)15(19)16-8-5-12-20-3/h13-14,17H,4-12H2,1-3H3,(H,16,19).
What are the key properties of N-(3-methoxypropyl)-2-[(1-propylpiperidin-4-yl)amino]propanamide?
N-(3-methoxypropyl)-2-[(1-propylpiperidin-4-yl)amino]propanamide has a molecular weight of 285.43 g/mol, XLogP of 0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[(1-propylpiperidin-4-yl)amino]propanamide is sourced from PubChem (CID 60722361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).