1-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]piperidin-4-yl]cyclopropane-1-carboxylic acid

C19H31N3O5 — CID 175130528

IUPAC1-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]piperidin-4-yl]cyclopropane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)N2CCC(C3(C(=O)O)CC3)CC2)CC1
InChIInChI=1S/C19H31N3O5/c1-18(2,3)27-17(26)22-12-10-21(11-13-22)16(25)20-8-4-14(5-9-20)19(6-7-19)15(23)24/h14H,4-13H2,1-3H3,(H,23,24)
InChIKeySHRJUUABAPTSPP-UHFFFAOYSA-N
MW381.47 g/mol
LogP2.24
Rot. Bonds2

About 1-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]piperidin-4-yl]cyclopropane-1-carboxylic acid

1-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]piperidin-4-yl]cyclopropane-1-carboxylic acid (PubChem CID 175130528) has the molecular formula C19H31N3O5 and a molecular weight of 381.47 g/mol. Its IUPAC name is 1-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]piperidin-4-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]piperidin-4-yl]cyclopropane-1-carboxylic acid
PubChem CID175130528
Molecular FormulaC19H31N3O5
Molecular Weight381.47 g/mol
Exact Mass381.23
IUPAC Name1-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]piperidin-4-yl]cyclopropane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)N2CCC(C3(C(=O)O)CC3)CC2)CC1
InChIInChI=1S/C19H31N3O5/c1-18(2,3)27-17(26)22-12-10-21(11-13-22)16(25)20-8-4-14(5-9-20)19(6-7-19)15(23)24/h14H,4-13H2,1-3H3,(H,23,24)
InChIKeySHRJUUABAPTSPP-UHFFFAOYSA-N
XLogP2.24
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]piperidin-4-yl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclopentane-1-carboxylic acid
CID 57429712
tert-butyl 4-(1-hydroxycyclopropyl)piperidine-1-carboxylate
CID 84801090
tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate
CID 20716162
(1R,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.2.0]heptane-1-carboxylic acid
CID 97112153
tert-butyl 4-[4-(cyclopropanecarbonyloxy)piperidine-1-carbonyl]piperazine-1-carboxylate
CID 175130527
tert-butyl 4-(1-acetamidocyclopropyl)piperidine-1-carboxylate
CID 171084730
1-O-tert-butyl 4-O-methyl 4-(1-methylpiperidin-4-yl)piperidine-1,4-dicarboxylate
CID 175203279
3-(4-ethylcyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 103719544
tert-butyl 4-[(1S)-2,2-difluorocyclobutyl]piperazine-1-carboxylate
CID 135284315
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate
CID 22179860

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]piperidin-4-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]piperidin-4-yl]cyclopropane-1-carboxylic acid (CID 175130528) is 1-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]piperidin-4-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]piperidin-4-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]piperidin-4-yl]cyclopropane-1-carboxylic acid is CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC(C3(C(=O)O)CC3)CC2)CC1.
What is the InChIKey of 1-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]piperidin-4-yl]cyclopropane-1-carboxylic acid?
The InChIKey is SHRJUUABAPTSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O5/c1-18(2,3)27-17(26)22-12-10-21(11-13-22)16(25)20-8-4-14(5-9-20)19(6-7-19)15(23)24/h14H,4-13H2,1-3H3,(H,23,24).
What are the key properties of 1-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]piperidin-4-yl]cyclopropane-1-carboxylic acid?
1-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]piperidin-4-yl]cyclopropane-1-carboxylic acid has a molecular weight of 381.47 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]piperidin-4-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 175130528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).