2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid

C14H27N3O4 — CID 63876453

IUPAC2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCC(CCN(C)C)NC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C14H27N3O4/c1-11(4-7-16(2)3)15-14(20)17-8-5-12(6-9-17)21-10-13(18)19/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyVDJNLHSCWVPFSM-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.60
Rot. Bonds7

About 2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid

2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid (PubChem CID 63876453) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid
PubChem CID63876453
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCC(CCN(C)C)NC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C14H27N3O4/c1-11(4-7-16(2)3)15-14(20)17-8-5-12(6-9-17)21-10-13(18)19/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyVDJNLHSCWVPFSM-UHFFFAOYSA-N
XLogP0.60
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(pentan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876957
2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875575
N-[4-(dimethylamino)butan-2-yl]pyrrolidine-1-carboxamide
CID 115596643
3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61216878
3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 82691194
2-[1-[(3-methoxy-3-oxopropyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875250
2-[1-(tert-butylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876431
2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875769
2-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 106283441
2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63877473
2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875053
2-[1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875757

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid (CID 63876453) is 2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid is CC(CCN(C)C)NC(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is VDJNLHSCWVPFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-11(4-7-16(2)3)15-14(20)17-8-5-12(6-9-17)21-10-13(18)19/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid?
2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 301.39 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63876453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).