2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide

C16H31N3O2 — CID 106631734

IUPAC2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C16H31N3O2/c1-13(16(20)18-10-5-11-21-2)19(15-7-8-15)12-14-6-3-4-9-17-14/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyVANIVDPIPZOGET-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.13
Rot. Bonds9

About 2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide

2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide (PubChem CID 106631734) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide
PubChem CID106631734
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C16H31N3O2/c1-13(16(20)18-10-5-11-21-2)19(15-7-8-15)12-14-6-3-4-9-17-14/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyVANIVDPIPZOGET-UHFFFAOYSA-N
XLogP1.13
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106614794
N-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide
CID 106631536
2-[cyclopropyl(piperidin-2-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106631682
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide
CID 106616707
2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N-(3-methoxypropyl)propanamide
CID 54997625
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide
CID 106617530
2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 106599799
N-(2-methoxyethyl)-2-(piperidin-2-ylmethylamino)propanamide
CID 106634334
(2S)-N-cyclopropyl-2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide
CID 129398896
2-[methyl(piperidin-2-ylmethyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 106635112
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide
CID 43137532

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide (CID 106631734) is 2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)N(CC1CCCCN1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide?
The InChIKey is VANIVDPIPZOGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-13(16(20)18-10-5-11-21-2)19(15-7-8-15)12-14-6-3-4-9-17-14/h13-15,17H,3-12H2,1-2H3,(H,18,20).
What are the key properties of 2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide?
2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide has a molecular weight of 297.44 g/mol, XLogP of 1.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 106631734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).