N-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide

C12H23N3O2 — CID 54871655

IUPACN-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(C(=O)CNC)CC1
InChIInChI=1S/C12H23N3O2/c1-3-4-11(16)14-10-5-7-15(8-6-10)12(17)9-13-2/h10,13H,3-9H2,1-2H3,(H,14,16)
InChIKeyIDVBHWVMVCSHGZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.11
Rot. Bonds5

About N-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide

N-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide (PubChem CID 54871655) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide
PubChem CID54871655
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(C(=O)CNC)CC1
InChIInChI=1S/C12H23N3O2/c1-3-4-11(16)14-10-5-7-15(8-6-10)12(17)9-13-2/h10,13H,3-9H2,1-2H3,(H,14,16)
InChIKeyIDVBHWVMVCSHGZ-UHFFFAOYSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]butanamide
CID 60948008
N-[1-[4-(methylamino)butanoyl]piperidin-4-yl]butanamide
CID 54871679
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride
CID 119761692
N-[1-[3-(ethylamino)propanoyl]piperidin-4-yl]butanamide
CID 62835122
N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide
CID 54996241
N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide
CID 120703373
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
ethyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 110819279
N-[1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidin-4-yl]butanamide
CID 102611416
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 103810252
N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide?
The IUPAC name of N-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide (CID 54871655) is N-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide.
What is the SMILES notation for N-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide?
The canonical SMILES for N-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide is CCCC(=O)NC1CCN(C(=O)CNC)CC1.
What is the InChIKey of N-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide?
The InChIKey is IDVBHWVMVCSHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-4-11(16)14-10-5-7-15(8-6-10)12(17)9-13-2/h10,13H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide?
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide has a molecular weight of 241.33 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 54871655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).