(3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid

C14H27N3O3 — CID 106039371

IUPAC(3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)N(C)CCCNC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H27N3O3/c1-11(2)16(3)8-5-7-15-14(20)17-9-4-6-12(10-17)13(18)19/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19)/t12-/m1/s1
InChIKeyRVDUATUNELKGNS-GFCCVEGCSA-N
MW285.39 g/mol
LogP1.22
Rot. Bonds6

About (3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid

(3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 106039371) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is (3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID106039371
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name(3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)N(C)CCCNC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H27N3O3/c1-11(2)16(3)8-5-7-15-14(20)17-9-4-6-12(10-17)13(18)19/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19)/t12-/m1/s1
InChIKeyRVDUATUNELKGNS-GFCCVEGCSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid
CID 113287747
4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid
CID 106038928
(3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119968
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
(3S)-1-[2-(3-methylbutoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125959
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
(3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 106239155
1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
CID 114111695
(3R)-1-(pent-4-ynylcarbamoyl)piperidine-3-carboxylic acid
CID 106222833
1-(3-methylsulfinylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 113490689
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid (CID 106039371) is (3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid is CC(C)N(C)CCCNC(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is RVDUATUNELKGNS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11(2)16(3)8-5-7-15-14(20)17-9-4-6-12(10-17)13(18)19/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19)/t12-/m1/s1.
What are the key properties of (3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 285.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 106039371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).