1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid

C16H26N2O3 — CID 107071692

IUPAC1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)N(CC2CC2)CC2CC2)C1C(=O)O
InChIInChI=1S/C16H26N2O3/c1-11-3-2-8-18(14(11)15(19)20)16(21)17(9-12-4-5-12)10-13-6-7-13/h11-14H,2-10H2,1H3,(H,19,20)
InChIKeyWQIDMHGBQFVLPC-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.41
Rot. Bonds5

About 1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid

1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107071692) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107071692
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)N(CC2CC2)CC2CC2)C1C(=O)O
InChIInChI=1S/C16H26N2O3/c1-11-3-2-8-18(14(11)15(19)20)16(21)17(9-12-4-5-12)10-13-6-7-13/h11-14H,2-10H2,1H3,(H,19,20)
InChIKeyWQIDMHGBQFVLPC-UHFFFAOYSA-N
XLogP2.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclopentylmethyl(methyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071655
1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071301
1-[cyclohexylmethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782013
1-[cyclopentyl(methyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071305
3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid
CID 107069721
(2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61443079
3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid
CID 107071903
1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071482
3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid
CID 107068836
1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107069454
3-methyl-1-propan-2-yloxycarbonylpiperidine-2-carboxylic acid
CID 107070014
N,N-bis(cyclopropylmethyl)-3-methylpiperidine-1-carboxamide
CID 116656196

Frequently Asked Questions

What is the IUPAC name of 1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid (CID 107071692) is 1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid is CC1CCCN(C(=O)N(CC2CC2)CC2CC2)C1C(=O)O.
What is the InChIKey of 1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is WQIDMHGBQFVLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11-3-2-8-18(14(11)15(19)20)16(21)17(9-12-4-5-12)10-13-6-7-13/h11-14H,2-10H2,1H3,(H,19,20).
What are the key properties of 1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 294.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107071692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).