N-[(2R)-4-[[(3R)-1-methyl-6-oxopiperidin-3-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide

C16H27N3O3 — CID 97086410

IUPACN-[(2R)-4-[[(3R)-1-methyl-6-oxopiperidin-3-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESC[C@H](CC(=O)N[C@@H]1CCC(=O)N(C)C1)NC(=O)C1CCCC1
InChIInChI=1S/C16H27N3O3/c1-11(17-16(22)12-5-3-4-6-12)9-14(20)18-13-7-8-15(21)19(2)10-13/h11-13H,3-10H2,1-2H3,(H,17,22)(H,18,20)/t11-,13-/m1/s1
InChIKeyPBMJMJALTOEGDK-DGCLKSJQSA-N
MW309.41 g/mol
LogP0.81
Rot. Bonds5

About N-[(2R)-4-[[(3R)-1-methyl-6-oxopiperidin-3-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide

N-[(2R)-4-[[(3R)-1-methyl-6-oxopiperidin-3-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide (PubChem CID 97086410) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(2R)-4-[[(3R)-1-methyl-6-oxopiperidin-3-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-4-[[(3R)-1-methyl-6-oxopiperidin-3-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
PubChem CID97086410
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-[(2R)-4-[[(3R)-1-methyl-6-oxopiperidin-3-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESC[C@H](CC(=O)N[C@@H]1CCC(=O)N(C)C1)NC(=O)C1CCCC1
InChIInChI=1S/C16H27N3O3/c1-11(17-16(22)12-5-3-4-6-12)9-14(20)18-13-7-8-15(21)19(2)10-13/h11-13H,3-10H2,1-2H3,(H,17,22)(H,18,20)/t11-,13-/m1/s1
InChIKeyPBMJMJALTOEGDK-DGCLKSJQSA-N
XLogP0.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide
CID 119453661
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 64655943
3-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64667203
4-(2-aminoethyl)-5-methyl-N-(1-methyl-6-oxopiperidin-3-yl)hexanamide
CID 64669409
(3R)-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-3-carboxamide
CID 81141682
2,3-dimethyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 103498588
3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide
CID 124575480
3-cyclopropyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 82003067
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
1-methyl-5-(propan-2-ylamino)piperidin-2-one
CID 64655115
3-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
CID 110736478
methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate
CID 95609074

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-[[(3R)-1-methyl-6-oxopiperidin-3-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2R)-4-[[(3R)-1-methyl-6-oxopiperidin-3-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide (CID 97086410) is N-[(2R)-4-[[(3R)-1-methyl-6-oxopiperidin-3-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2R)-4-[[(3R)-1-methyl-6-oxopiperidin-3-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2R)-4-[[(3R)-1-methyl-6-oxopiperidin-3-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide is C[C@H](CC(=O)N[C@@H]1CCC(=O)N(C)C1)NC(=O)C1CCCC1.
What is the InChIKey of N-[(2R)-4-[[(3R)-1-methyl-6-oxopiperidin-3-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The InChIKey is PBMJMJALTOEGDK-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-11(17-16(22)12-5-3-4-6-12)9-14(20)18-13-7-8-15(21)19(2)10-13/h11-13H,3-10H2,1-2H3,(H,17,22)(H,18,20)/t11-,13-/m1/s1.
What are the key properties of N-[(2R)-4-[[(3R)-1-methyl-6-oxopiperidin-3-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
N-[(2R)-4-[[(3R)-1-methyl-6-oxopiperidin-3-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide has a molecular weight of 309.41 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-[[(3R)-1-methyl-6-oxopiperidin-3-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 97086410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).