2-[[2-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]acetyl]amino]acetic acid;hydrochloride

C17H30ClN3O4 — CID 22611771

IUPAC2-[[2-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]acetyl]amino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNC(=O)CC1CCCN(C(=O)CCC2CCNCC2)C1
InChIInChI=1S/C17H29N3O4.ClH/c21-15(19-11-17(23)24)10-14-2-1-9-20(12-14)16(22)4-3-13-5-7-18-8-6-13;/h13-14,18H,1-12H2,(H,19,21)(H,23,24);1H
InChIKeyMTFIRWZPMXPGFU-UHFFFAOYSA-N
MW375.90 g/mol
LogP1.02
Rot. Bonds7

About 2-[[2-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]acetyl]amino]acetic acid;hydrochloride

2-[[2-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]acetyl]amino]acetic acid;hydrochloride (PubChem CID 22611771) has the molecular formula C17H30ClN3O4 and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-[[2-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]acetyl]amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[[2-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]acetyl]amino]acetic acid;hydrochloride
PubChem CID22611771
Molecular FormulaC17H30ClN3O4
Molecular Weight375.90 g/mol
Exact Mass375.19
IUPAC Name2-[[2-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]acetyl]amino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNC(=O)CC1CCCN(C(=O)CCC2CCNCC2)C1
InChIInChI=1S/C17H29N3O4.ClH/c21-15(19-11-17(23)24)10-14-2-1-9-20(12-14)16(22)4-3-13-5-7-18-8-6-13;/h13-14,18H,1-12H2,(H,19,21)(H,23,24);1H
InChIKeyMTFIRWZPMXPGFU-UHFFFAOYSA-N
XLogP1.02
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]acetyl]amino]acetic acid;hydrochloride with MolForge

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Related Compounds

1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62212438
(3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid
CID 81125925
(3S)-3-(cyclohexanecarbonylamino)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 23533823
2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid
CID 62210241
N-(2-oxo-2-piperidin-1-ylethyl)-2-piperidin-4-ylacetamide
CID 112701646
3-cyclopentyl-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]propanamide;hydrochloride
CID 120995316
3-methyl-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 70094312
2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 115736845
(2S)-2-amino-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 58942662
(2R)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]-2-(propanoylamino)propanoic acid
CID 58942672
2-acetamido-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid;hydrochloride
CID 70111137
1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 120727419

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]acetyl]amino]acetic acid;hydrochloride?
The IUPAC name of 2-[[2-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]acetyl]amino]acetic acid;hydrochloride (CID 22611771) is 2-[[2-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]acetyl]amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[[2-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]acetyl]amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[[2-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]acetyl]amino]acetic acid;hydrochloride is Cl.O=C(O)CNC(=O)CC1CCCN(C(=O)CCC2CCNCC2)C1.
What is the InChIKey of 2-[[2-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]acetyl]amino]acetic acid;hydrochloride?
The InChIKey is MTFIRWZPMXPGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4.ClH/c21-15(19-11-17(23)24)10-14-2-1-9-20(12-14)16(22)4-3-13-5-7-18-8-6-13;/h13-14,18H,1-12H2,(H,19,21)(H,23,24);1H.
What are the key properties of 2-[[2-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]acetyl]amino]acetic acid;hydrochloride?
2-[[2-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]acetyl]amino]acetic acid;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]acetyl]amino]acetic acid;hydrochloride is sourced from PubChem (CID 22611771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).