cis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid

C15H27N3O3 — CID 106320196

IUPACcis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCN1CCC(CCNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-18-8-5-11(6-9-18)4-7-16-15(21)17-13-3-2-12(10-13)14(19)20/h11-13H,2-10H2,1H3,(H,19,20)(H2,16,17,21)/t12-,13+/m1/s1
InChIKeyFWAKBRLBODSZER-OLZOCXBDSA-N
MW297.40 g/mol
LogP1.27
Rot. Bonds5

About cis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106320196) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is cis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID106320196
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Namecis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCN1CCC(CCNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-18-8-5-11(6-9-18)4-7-16-15(21)17-13-3-2-12(10-13)14(19)20/h11-13H,2-10H2,1H3,(H,19,20)(H2,16,17,21)/t12-,13+/m1/s1
InChIKeyFWAKBRLBODSZER-OLZOCXBDSA-N
XLogP1.27
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032847
1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 115611118
3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030259
3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63042641
cis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106326297
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981
cis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319333
cis-(1R,3S)-3-(4,4,4-trifluorobutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 114173658
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
cis-(1R,3S)-3-[2-(2-methoxyethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319589

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 106320196) is cis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid is CN1CCC(CCNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)CC1.
What is the InChIKey of cis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is FWAKBRLBODSZER-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-18-8-5-11(6-9-18)4-7-16-15(21)17-13-3-2-12(10-13)14(19)20/h11-13H,2-10H2,1H3,(H,19,20)(H2,16,17,21)/t12-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).