2-[[1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidin-4-yl]-ethylamino]acetic acid

C20H38N4O3 — CID 122001416

IUPAC2-[[1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidin-4-yl]-ethylamino]acetic acid
SMILESCCCCN1CCCCC1CNC(=O)N1CCC(N(CC)CC(=O)O)CC1
InChIInChI=1S/C20H38N4O3/c1-3-5-11-23-12-7-6-8-18(23)15-21-20(27)24-13-9-17(10-14-24)22(4-2)16-19(25)26/h17-18H,3-16H2,1-2H3,(H,21,27)(H,25,26)
InChIKeyUPIHHDZHNLKFIZ-UHFFFAOYSA-N
MW382.55 g/mol
LogP2.22
Rot. Bonds9

About 2-[[1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidin-4-yl]-ethylamino]acetic acid

2-[[1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidin-4-yl]-ethylamino]acetic acid (PubChem CID 122001416) has the molecular formula C20H38N4O3 and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-[[1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidin-4-yl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidin-4-yl]-ethylamino]acetic acid
PubChem CID122001416
Molecular FormulaC20H38N4O3
Molecular Weight382.55 g/mol
Exact Mass382.29
IUPAC Name2-[[1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidin-4-yl]-ethylamino]acetic acid
SMILESCCCCN1CCCCC1CNC(=O)N1CCC(N(CC)CC(=O)O)CC1
InChIInChI=1S/C20H38N4O3/c1-3-5-11-23-12-7-6-8-18(23)15-21-20(27)24-13-9-17(10-14-24)22(4-2)16-19(25)26/h17-18H,3-16H2,1-2H3,(H,21,27)(H,25,26)
InChIKeyUPIHHDZHNLKFIZ-UHFFFAOYSA-N
XLogP2.22
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122001414
2-[ethyl-[3-[[(2S)-1-propylpyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122014146
2-[ethyl-[3-[[4-(3-pyrrolidin-1-ylpropyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026129
2-[[1-(2-bicyclo[2.2.2]oct-5-enylmethylcarbamoyl)piperidin-4-yl]-ethylamino]acetic acid
CID 122124203
2-[ethyl-[3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122001579
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 43318538
2-[ethyl-[1-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]piperidin-4-yl]amino]acetic acid
CID 122006152
2-[[3-[(4-cyclopentyloxypiperidine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122026751
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343
2-[ethyl-[1-[(1-methoxy-4-methylcyclohexyl)methylcarbamoyl]piperidin-4-yl]amino]acetic acid
CID 122012578
1-[(1-butylpiperidin-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111506154
1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438758

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidin-4-yl]-ethylamino]acetic acid?
The IUPAC name of 2-[[1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidin-4-yl]-ethylamino]acetic acid (CID 122001416) is 2-[[1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidin-4-yl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidin-4-yl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidin-4-yl]-ethylamino]acetic acid is CCCCN1CCCCC1CNC(=O)N1CCC(N(CC)CC(=O)O)CC1.
What is the InChIKey of 2-[[1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidin-4-yl]-ethylamino]acetic acid?
The InChIKey is UPIHHDZHNLKFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O3/c1-3-5-11-23-12-7-6-8-18(23)15-21-20(27)24-13-9-17(10-14-24)22(4-2)16-19(25)26/h17-18H,3-16H2,1-2H3,(H,21,27)(H,25,26).
What are the key properties of 2-[[1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidin-4-yl]-ethylamino]acetic acid?
2-[[1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidin-4-yl]-ethylamino]acetic acid has a molecular weight of 382.55 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidin-4-yl]-ethylamino]acetic acid is sourced from PubChem (CID 122001416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).