N-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]butanamide

C16H31N3O2 — CID 115432123

IUPACN-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(C(=O)C(CC)(CC)CN)CC1
InChIInChI=1S/C16H31N3O2/c1-4-7-14(20)18-13-8-10-19(11-9-13)15(21)16(5-2,6-3)12-17/h13H,4-12,17H2,1-3H3,(H,18,20)
InChIKeyBMTNARJBWUAYBS-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.66
Rot. Bonds7

About N-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]butanamide

N-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]butanamide (PubChem CID 115432123) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]butanamide
PubChem CID115432123
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(C(=O)C(CC)(CC)CN)CC1
InChIInChI=1S/C16H31N3O2/c1-4-7-14(20)18-13-8-10-19(11-9-13)15(21)16(5-2,6-3)12-17/h13H,4-12,17H2,1-3H3,(H,18,20)
InChIKeyBMTNARJBWUAYBS-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide
CID 54996241
N-[1-(2-methylbutan-2-yl)piperidin-4-yl]butanamide
CID 135295717
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide
CID 54871655
2-(aminomethyl)-2-ethyl-1-(3-hydroxypyrrolidin-1-yl)butan-1-one
CID 62942263
N-[1-[3-(ethylamino)propanoyl]piperidin-4-yl]butanamide
CID 62835122
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pentanamide
CID 108561890
N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]butanamide
CID 60948008
N-[1-[4-(methylamino)butanoyl]piperidin-4-yl]butanamide
CID 54871679
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hydroxybutanamide
CID 79204128
N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide
CID 79211284
N-(1-methylpyrrolidin-3-yl)butanamide
CID 18723360
N-cyclooctylbutanamide
CID 4614062

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]butanamide?
The IUPAC name of N-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]butanamide (CID 115432123) is N-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]butanamide.
What is the SMILES notation for N-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]butanamide?
The canonical SMILES for N-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]butanamide is CCCC(=O)NC1CCN(C(=O)C(CC)(CC)CN)CC1.
What is the InChIKey of N-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]butanamide?
The InChIKey is BMTNARJBWUAYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-7-14(20)18-13-8-10-19(11-9-13)15(21)16(5-2,6-3)12-17/h13H,4-12,17H2,1-3H3,(H,18,20).
What are the key properties of N-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]butanamide?
N-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]butanamide has a molecular weight of 297.44 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 115432123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).