2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]cyclopentane-1-carboxylic acid

C15H25N3O3 — CID 64818080

IUPAC2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NC(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C15H25N3O3/c19-14(20)12-2-1-3-13(12)16-15(21)18-8-6-17(7-9-18)10-11-4-5-11/h11-13H,1-10H2,(H,16,21)(H,19,20)
InChIKeyBDCREFATYFDEBT-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.98
Rot. Bonds4

About 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]cyclopentane-1-carboxylic acid

2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64818080) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64818080
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NC(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C15H25N3O3/c19-14(20)12-2-1-3-13(12)16-15(21)18-8-6-17(7-9-18)10-11-4-5-11/h11-13H,1-10H2,(H,16,21)(H,19,20)
InChIKeyBDCREFATYFDEBT-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-(azetidine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 164662283
2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 64816878
2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64815387
2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64815349
2-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid
CID 55146326
2-[(4-tert-butylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64817139
2-[(3-ethoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64817701
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]pyrrolidine-1-carboxamide
CID 79161257
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]piperidine-1-carboxamide
CID 79155291
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962212
2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64815431
2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 79096477

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 64818080) is 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1NC(=O)N1CCN(CC2CC2)CC1.
What is the InChIKey of 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is BDCREFATYFDEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c19-14(20)12-2-1-3-13(12)16-15(21)18-8-6-17(7-9-18)10-11-4-5-11/h11-13H,1-10H2,(H,16,21)(H,19,20).
What are the key properties of 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]cyclopentane-1-carboxylic acid?
2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64818080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).