3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid

C16H26N2O3 — CID 62211691

IUPAC3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C16H26N2O3/c19-14(20)9-8-13-3-1-2-10-18(13)16(21)17-15(11-4-5-11)12-6-7-12/h11-13,15H,1-10H2,(H,17,21)(H,19,20)
InChIKeyDWKBPQKYKQWWFW-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.60
Rot. Bonds6

About 3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid

3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid (PubChem CID 62211691) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid
PubChem CID62211691
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C16H26N2O3/c19-14(20)9-8-13-3-1-2-10-18(13)16(21)17-15(11-4-5-11)12-6-7-12/h11-13,15H,1-10H2,(H,17,21)(H,19,20)
InChIKeyDWKBPQKYKQWWFW-UHFFFAOYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid
CID 63843411
3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62215893
3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 113485751
3-amino-4-[2-(2-carboxyethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 64895769
3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62217135
3-[1-(2-methoxypropylcarbamoyl)piperidin-2-yl]propanoic acid
CID 102699661
3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 106021300
3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 114943422
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 83055756
3-[1-(oxan-4-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 63705736
3-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62212214

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid (CID 62211691) is 3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)NC(C1CC1)C1CC1.
What is the InChIKey of 3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid?
The InChIKey is DWKBPQKYKQWWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-14(20)9-8-13-3-1-2-10-18(13)16(21)17-15(11-4-5-11)12-6-7-12/h11-13,15H,1-10H2,(H,17,21)(H,19,20).
What are the key properties of 3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid?
3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid has a molecular weight of 294.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62211691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).