4-[2-(aminomethyl)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide

C16H31N3O2 — CID 119466435

IUPAC4-[2-(aminomethyl)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)CCC(=O)N1CCCCC1CN
InChIInChI=1S/C16H31N3O2/c1-3-10-18(11-4-2)15(20)8-9-16(21)19-12-6-5-7-14(19)13-17/h14H,3-13,17H2,1-2H3
InChIKeyDXWNNWZWOLOCHY-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.75
Rot. Bonds8

About 4-[2-(aminomethyl)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide

4-[2-(aminomethyl)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide (PubChem CID 119466435) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-[2-(aminomethyl)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide
PubChem CID119466435
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name4-[2-(aminomethyl)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)CCC(=O)N1CCCCC1CN
InChIInChI=1S/C16H31N3O2/c1-3-10-18(11-4-2)15(20)8-9-16(21)19-12-6-5-7-14(19)13-17/h14H,3-13,17H2,1-2H3
InChIKeyDXWNNWZWOLOCHY-UHFFFAOYSA-N
XLogP1.75
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(aminomethyl)piperidin-1-yl]-5-oxo-N,N-dipropylpentanamide;hydrochloride
CID 119469783
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide
CID 119483572
1-[2-(2-aminoethyl)piperidin-1-yl]butan-1-one
CID 63754291
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]butanamide;hydrochloride
CID 119468639
1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one
CID 119467538
1-[2-(aminomethyl)azepan-1-yl]-4-methoxypentan-1-one
CID 116640028
2-(1-butanoylpiperidin-2-yl)acetic acid
CID 61010375
3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129323138
1-[2-(aminomethyl)piperidin-1-yl]-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride
CID 119466604
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-ethoxyphenyl)propan-1-one;hydrochloride
CID 119467317

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide?
The IUPAC name of 4-[2-(aminomethyl)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide (CID 119466435) is 4-[2-(aminomethyl)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide.
What is the SMILES notation for 4-[2-(aminomethyl)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide?
The canonical SMILES for 4-[2-(aminomethyl)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide is CCCN(CCC)C(=O)CCC(=O)N1CCCCC1CN.
What is the InChIKey of 4-[2-(aminomethyl)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide?
The InChIKey is DXWNNWZWOLOCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-3-10-18(11-4-2)15(20)8-9-16(21)19-12-6-5-7-14(19)13-17/h14H,3-13,17H2,1-2H3.
What are the key properties of 4-[2-(aminomethyl)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide?
4-[2-(aminomethyl)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide has a molecular weight of 297.44 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide is sourced from PubChem (CID 119466435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).