4-[[(3R)-1-(3-amino-3-oxopropyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid

C14H26N4O3 — CID 68709746

IUPAC4-[[(3R)-1-(3-amino-3-oxopropyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid
SMILESNC(=O)CCN1CCC[C@@H](CN2CCN(C(=O)O)CC2)C1
InChIInChI=1S/C14H26N4O3/c15-13(19)3-5-16-4-1-2-12(10-16)11-17-6-8-18(9-7-17)14(20)21/h12H,1-11H2,(H2,15,19)(H,20,21)/t12-/m1/s1
InChIKeyBBHNBEHHPYQKRB-GFCCVEGCSA-N
MW298.39 g/mol
LogP-0.13
Rot. Bonds5

About 4-[[(3R)-1-(3-amino-3-oxopropyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid

4-[[(3R)-1-(3-amino-3-oxopropyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid (PubChem CID 68709746) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[[(3R)-1-(3-amino-3-oxopropyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(3R)-1-(3-amino-3-oxopropyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid
PubChem CID68709746
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name4-[[(3R)-1-(3-amino-3-oxopropyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid
SMILESNC(=O)CCN1CCC[C@@H](CN2CCN(C(=O)O)CC2)C1
InChIInChI=1S/C14H26N4O3/c15-13(19)3-5-16-4-1-2-12(10-16)11-17-6-8-18(9-7-17)14(20)21/h12H,1-11H2,(H2,15,19)(H,20,21)/t12-/m1/s1
InChIKeyBBHNBEHHPYQKRB-GFCCVEGCSA-N
XLogP-0.13
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(2-amino-2-oxoethyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid
CID 68708073
4-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid
CID 68703994
4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine-1-carboxylic acid
CID 68705249
4-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]butanoic acid
CID 129379773
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]piperazine-1-carboxylic acid
CID 90816538
2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid
CID 62690799
3-(piperazin-1-ylmethyl)piperidine-1-carboxylic acid
CID 68707014
2-amino-1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]ethanone
CID 119859709
3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid
CID 121200949
3-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982627
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide
CID 81198649
2-[4-(3-amino-3-oxopropyl)-1,4-diazepan-1-yl]acetic acid
CID 62823266

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-(3-amino-3-oxopropyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[[(3R)-1-(3-amino-3-oxopropyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid (CID 68709746) is 4-[[(3R)-1-(3-amino-3-oxopropyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[[(3R)-1-(3-amino-3-oxopropyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[[(3R)-1-(3-amino-3-oxopropyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid is NC(=O)CCN1CCC[C@@H](CN2CCN(C(=O)O)CC2)C1.
What is the InChIKey of 4-[[(3R)-1-(3-amino-3-oxopropyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid?
The InChIKey is BBHNBEHHPYQKRB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N4O3/c15-13(19)3-5-16-4-1-2-12(10-16)11-17-6-8-18(9-7-17)14(20)21/h12H,1-11H2,(H2,15,19)(H,20,21)/t12-/m1/s1.
What are the key properties of 4-[[(3R)-1-(3-amino-3-oxopropyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid?
4-[[(3R)-1-(3-amino-3-oxopropyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid has a molecular weight of 298.39 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1-(3-amino-3-oxopropyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 68709746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).