cis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C20H26N2O4 — CID 122065358

IUPACcis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)cc1
InChIInChI=1S/C20H26N2O4/c1-12-6-4-5-11-22(12)18(24)13-7-9-14(10-8-13)21-17(23)15-16(19(25)26)20(15,2)3/h7-10,12,15-16H,4-6,11H2,1-3H3,(H,21,23)(H,25,26)/t12?,15-,16+/m0/s1
InChIKeyUSJUDMMJZKMYLP-FFPFEORLSA-N
MW358.44 g/mol
LogP3.00
Rot. Bonds4

About cis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 122065358) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is cis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID122065358
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Namecis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)cc1
InChIInChI=1S/C20H26N2O4/c1-12-6-4-5-11-22(12)18(24)13-7-9-14(10-8-13)21-17(23)15-16(19(25)26)20(15,2)3/h7-10,12,15-16H,4-6,11H2,1-3H3,(H,21,23)(H,25,26)/t12?,15-,16+/m0/s1
InChIKeyUSJUDMMJZKMYLP-FFPFEORLSA-N
XLogP3.00
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
3-[[4-(cyclobutanecarbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 56763363
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
N-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119283670
2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 119283677
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid
CID 99774161
trans-(1R,3R)-2,2-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 98167469
2-(cyclopropylmethylamino)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119712985
7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride
CID 119712957
3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119712991
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 122065358) is cis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is CC1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)cc1.
What is the InChIKey of cis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is USJUDMMJZKMYLP-FFPFEORLSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-12-6-4-5-11-22(12)18(24)13-7-9-14(10-8-13)21-17(23)15-16(19(25)26)20(15,2)3/h7-10,12,15-16H,4-6,11H2,1-3H3,(H,21,23)(H,25,26)/t12?,15-,16+/m0/s1.
What are the key properties of cis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 358.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 122065358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).