2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide

C14H29N3O — CID 60852471

IUPAC2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide
SMILESCCC(C)NCC(=O)NCCCN1CCCCC1
InChIInChI=1S/C14H29N3O/c1-3-13(2)16-12-14(18)15-8-7-11-17-9-5-4-6-10-17/h13,16H,3-12H2,1-2H3,(H,15,18)
InChIKeyPVQYDRGXLTXSKM-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.37
Rot. Bonds8

About 2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide

2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide (PubChem CID 60852471) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide
PubChem CID60852471
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide
SMILESCCC(C)NCC(=O)NCCCN1CCCCC1
InChIInChI=1S/C14H29N3O/c1-3-13(2)16-12-14(18)15-8-7-11-17-9-5-4-6-10-17/h13,16H,3-12H2,1-2H3,(H,15,18)
InChIKeyPVQYDRGXLTXSKM-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(azepan-1-yl)propyl]butan-2-amine
CID 115707284
2-(methylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 43362949
N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 61240012
2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
CID 26058062
N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 60668593
N-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61473889
2-oxo-N-(3-piperidin-1-ylpropyl)propanamide
CID 121311935
2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide
CID 43362927
N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide
CID 110441883
N-[5-(azepan-1-yl)pentyl]acetamide
CID 110441166
N-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60721100
2-(3-piperidin-1-ylpropylamino)propanoic acid
CID 66172280

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide (CID 60852471) is 2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide is CCC(C)NCC(=O)NCCCN1CCCCC1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide?
The InChIKey is PVQYDRGXLTXSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-13(2)16-12-14(18)15-8-7-11-17-9-5-4-6-10-17/h13,16H,3-12H2,1-2H3,(H,15,18).
What are the key properties of 2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide?
2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide has a molecular weight of 255.41 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 60852471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).