3-methyl-2-(3-methylbutanoylamino)-N-(piperidin-3-ylmethyl)butanamide

C16H31N3O2 — CID 119464375

IUPAC3-methyl-2-(3-methylbutanoylamino)-N-(piperidin-3-ylmethyl)butanamide
SMILESCC(C)CC(=O)NC(C(=O)NCC1CCCNC1)C(C)C
InChIInChI=1S/C16H31N3O2/c1-11(2)8-14(20)19-15(12(3)4)16(21)18-10-13-6-5-7-17-9-13/h11-13,15,17H,5-10H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyQRDJPHXFKQKUQD-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.29
Rot. Bonds7

About 3-methyl-2-(3-methylbutanoylamino)-N-(piperidin-3-ylmethyl)butanamide

3-methyl-2-(3-methylbutanoylamino)-N-(piperidin-3-ylmethyl)butanamide (PubChem CID 119464375) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-methyl-2-(3-methylbutanoylamino)-N-(piperidin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name3-methyl-2-(3-methylbutanoylamino)-N-(piperidin-3-ylmethyl)butanamide
PubChem CID119464375
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name3-methyl-2-(3-methylbutanoylamino)-N-(piperidin-3-ylmethyl)butanamide
SMILESCC(C)CC(=O)NC(C(=O)NCC1CCCNC1)C(C)C
InChIInChI=1S/C16H31N3O2/c1-11(2)8-14(20)19-15(12(3)4)16(21)18-10-13-6-5-7-17-9-13/h11-13,15,17H,5-10H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyQRDJPHXFKQKUQD-UHFFFAOYSA-N
XLogP1.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide
CID 119461802
3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide
CID 119454087
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 131134455
2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119462657
2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462909
2-methoxy-N-(piperidin-3-ylmethyl)butanamide
CID 119461438
3-methoxy-2-methyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461546
methyl (2S)-3-methyl-2-[(2-piperidin-3-ylacetyl)amino]butanoate
CID 62675949
2-(cyclopentylmethyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119460240
3-methyl-2-(3-piperidin-3-ylpropanoylamino)butanamide
CID 106345005
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide
CID 119558247

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylbutanoylamino)-N-(piperidin-3-ylmethyl)butanamide?
The IUPAC name of 3-methyl-2-(3-methylbutanoylamino)-N-(piperidin-3-ylmethyl)butanamide (CID 119464375) is 3-methyl-2-(3-methylbutanoylamino)-N-(piperidin-3-ylmethyl)butanamide.
What is the SMILES notation for 3-methyl-2-(3-methylbutanoylamino)-N-(piperidin-3-ylmethyl)butanamide?
The canonical SMILES for 3-methyl-2-(3-methylbutanoylamino)-N-(piperidin-3-ylmethyl)butanamide is CC(C)CC(=O)NC(C(=O)NCC1CCCNC1)C(C)C.
What is the InChIKey of 3-methyl-2-(3-methylbutanoylamino)-N-(piperidin-3-ylmethyl)butanamide?
The InChIKey is QRDJPHXFKQKUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-11(2)8-14(20)19-15(12(3)4)16(21)18-10-13-6-5-7-17-9-13/h11-13,15,17H,5-10H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 3-methyl-2-(3-methylbutanoylamino)-N-(piperidin-3-ylmethyl)butanamide?
3-methyl-2-(3-methylbutanoylamino)-N-(piperidin-3-ylmethyl)butanamide has a molecular weight of 297.44 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylbutanoylamino)-N-(piperidin-3-ylmethyl)butanamide is sourced from PubChem (CID 119464375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).