N-[(2S)-1-amino-1-oxo-3-piperidin-1-ylpropan-2-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide

C23H40N4O4 — CID 59972960

IUPACN-[(2S)-1-amino-1-oxo-3-piperidin-1-ylpropan-2-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESNC(=O)[C@H](CN1CCCCC1)NC(=O)C(CC(=O)N1CCOCC1)CC1CCCCC1
InChIInChI=1S/C23H40N4O4/c24-22(29)20(17-26-9-5-2-6-10-26)25-23(30)19(15-18-7-3-1-4-8-18)16-21(28)27-11-13-31-14-12-27/h18-20H,1-17H2,(H2,24,29)(H,25,30)/t19?,20-/m0/s1
InChIKeyHUTPEEJVLUBWMF-ANYOKISRSA-N
MW436.60 g/mol
LogP1.28
Rot. Bonds9

About N-[(2S)-1-amino-1-oxo-3-piperidin-1-ylpropan-2-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide

N-[(2S)-1-amino-1-oxo-3-piperidin-1-ylpropan-2-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 59972960) has the molecular formula C23H40N4O4 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxo-3-piperidin-1-ylpropan-2-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxo-3-piperidin-1-ylpropan-2-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
PubChem CID59972960
Molecular FormulaC23H40N4O4
Molecular Weight436.60 g/mol
Exact Mass436.30
IUPAC NameN-[(2S)-1-amino-1-oxo-3-piperidin-1-ylpropan-2-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESNC(=O)[C@H](CN1CCCCC1)NC(=O)C(CC(=O)N1CCOCC1)CC1CCCCC1
InChIInChI=1S/C23H40N4O4/c24-22(29)20(17-26-9-5-2-6-10-26)25-23(30)19(15-18-7-3-1-4-8-18)16-21(28)27-11-13-31-14-12-27/h18-20H,1-17H2,(H2,24,29)(H,25,30)/t19?,20-/m0/s1
InChIKeyHUTPEEJVLUBWMF-ANYOKISRSA-N
XLogP1.28
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide
CID 59066412
2-(cyclohexylmethyl)-N-(2-methyl-4-oxooxolan-2-yl)-4-morpholin-4-yl-4-oxobutanamide
CID 91319141
3-(cyclohexylmethyl)-4-morpholin-4-yl-2-oxobutanamide
CID 139942487
(2R)-2-(cyclohexylmethyl)-N-[(3R)-2-methyl-4-oxooxolan-3-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 91420232
(2R)-2-(cyclohexylmethyl)-N-[(3S)-2-methyl-4-oxooxolan-3-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 91189213
tert-butyl (3S,4E)-4-(carbamoylhydrazinylidene)-3-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]butanoate
CID 58999663
2-(cyclohexylmethyl)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-hydroxypentan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 22054086
(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal
CID 142042653
2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxo-N-[1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide
CID 44566073
(2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid
CID 11781067
2-(cyclohexylmethylamino)-1-morpholin-4-ylethanone
CID 21468665
2-(cyclohexylmethyl)-4-morpholin-4-yl-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)butane-1,4-dione
CID 69049826

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxo-3-piperidin-1-ylpropan-2-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-[(2S)-1-amino-1-oxo-3-piperidin-1-ylpropan-2-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide (CID 59972960) is N-[(2S)-1-amino-1-oxo-3-piperidin-1-ylpropan-2-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxo-3-piperidin-1-ylpropan-2-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxo-3-piperidin-1-ylpropan-2-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide is NC(=O)[C@H](CN1CCCCC1)NC(=O)C(CC(=O)N1CCOCC1)CC1CCCCC1.
What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-piperidin-1-ylpropan-2-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is HUTPEEJVLUBWMF-ANYOKISRSA-N. The full InChI is InChI=1S/C23H40N4O4/c24-22(29)20(17-26-9-5-2-6-10-26)25-23(30)19(15-18-7-3-1-4-8-18)16-21(28)27-11-13-31-14-12-27/h18-20H,1-17H2,(H2,24,29)(H,25,30)/t19?,20-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxo-3-piperidin-1-ylpropan-2-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide?
N-[(2S)-1-amino-1-oxo-3-piperidin-1-ylpropan-2-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 436.60 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxo-3-piperidin-1-ylpropan-2-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 59972960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).