1-[[3-[[(2R,3R)-3-propan-2-yloxolane-2-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide

C21H31N3O3 — CID 126801421

IUPAC1-[[3-[[(2R,3R)-3-propan-2-yloxolane-2-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCC(C)[C@H]1CCO[C@H]1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C21H31N3O3/c1-14(2)18-8-11-27-19(18)21(26)23-17-5-3-4-15(12-17)13-24-9-6-16(7-10-24)20(22)25/h3-5,12,14,16,18-19H,6-11,13H2,1-2H3,(H2,22,25)(H,23,26)/t18-,19-/m1/s1
InChIKeyZCOTZKDJCDRYIK-RTBURBONSA-N
MW373.50 g/mol
LogP2.38
Rot. Bonds6

About 1-[[3-[[(2R,3R)-3-propan-2-yloxolane-2-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide

1-[[3-[[(2R,3R)-3-propan-2-yloxolane-2-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 126801421) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[[3-[[(2R,3R)-3-propan-2-yloxolane-2-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-[[(2R,3R)-3-propan-2-yloxolane-2-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide
PubChem CID126801421
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-[[3-[[(2R,3R)-3-propan-2-yloxolane-2-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCC(C)[C@H]1CCO[C@H]1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C21H31N3O3/c1-14(2)18-8-11-27-19(18)21(26)23-17-5-3-4-15(12-17)13-24-9-6-16(7-10-24)20(22)25/h3-5,12,14,16,18-19H,6-11,13H2,1-2H3,(H2,22,25)(H,23,26)/t18-,19-/m1/s1
InChIKeyZCOTZKDJCDRYIK-RTBURBONSA-N
XLogP2.38
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[[(2R,3R)-3-propan-2-yloxolane-2-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853105
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CID 86782658
1-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853121
1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 119853084
1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 78901666
1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide
CID 60520535
1-[[3-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768003
1-[[3-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768192
1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
CID 71941024
1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide
CID 119853096
1-[[3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 51956887
1-[[3-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]amino]phenyl]methyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[(2R,3R)-3-propan-2-yloxolane-2-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-[[(2R,3R)-3-propan-2-yloxolane-2-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide (CID 126801421) is 1-[[3-[[(2R,3R)-3-propan-2-yloxolane-2-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-[[(2R,3R)-3-propan-2-yloxolane-2-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-[[(2R,3R)-3-propan-2-yloxolane-2-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide is CC(C)[C@H]1CCO[C@H]1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[[3-[[(2R,3R)-3-propan-2-yloxolane-2-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is ZCOTZKDJCDRYIK-RTBURBONSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-14(2)18-8-11-27-19(18)21(26)23-17-5-3-4-15(12-17)13-24-9-6-16(7-10-24)20(22)25/h3-5,12,14,16,18-19H,6-11,13H2,1-2H3,(H2,22,25)(H,23,26)/t18-,19-/m1/s1.
What are the key properties of 1-[[3-[[(2R,3R)-3-propan-2-yloxolane-2-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide?
1-[[3-[[(2R,3R)-3-propan-2-yloxolane-2-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[(2R,3R)-3-propan-2-yloxolane-2-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 126801421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).