N-cycloundecyl-1-[4-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide

C25H44N4O4 — CID 155297174

IUPACN-cycloundecyl-1-[4-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide
SMILESCNC(=O)[C@H](C)NC(=O)CCC(=O)N1CCC(C(=O)NC2CCCCCCCCCC2)CC1
InChIInChI=1S/C25H44N4O4/c1-19(24(32)26-2)27-22(30)13-14-23(31)29-17-15-20(16-18-29)25(33)28-21-11-9-7-5-3-4-6-8-10-12-21/h19-21H,3-18H2,1-2H3,(H,26,32)(H,27,30)(H,28,33)/t19-/m0/s1
InChIKeyBXYIGQYYVBZTOQ-IBGZPJMESA-N
MW464.65 g/mol
LogP2.66
Rot. Bonds7

About N-cycloundecyl-1-[4-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide

N-cycloundecyl-1-[4-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide (PubChem CID 155297174) has the molecular formula C25H44N4O4 and a molecular weight of 464.65 g/mol. Its IUPAC name is N-cycloundecyl-1-[4-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloundecyl-1-[4-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide
PubChem CID155297174
Molecular FormulaC25H44N4O4
Molecular Weight464.65 g/mol
Exact Mass464.34
IUPAC NameN-cycloundecyl-1-[4-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide
SMILESCNC(=O)[C@H](C)NC(=O)CCC(=O)N1CCC(C(=O)NC2CCCCCCCCCC2)CC1
InChIInChI=1S/C25H44N4O4/c1-19(24(32)26-2)27-22(30)13-14-23(31)29-17-15-20(16-18-29)25(33)28-21-11-9-7-5-3-4-6-8-10-12-21/h19-21H,3-18H2,1-2H3,(H,26,32)(H,27,30)(H,28,33)/t19-/m0/s1
InChIKeyBXYIGQYYVBZTOQ-IBGZPJMESA-N
XLogP2.66
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.65
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanamide
CID 115571861
methyl (2S)-2-[[4-(azepan-1-yl)-4-oxobutanoyl]amino]propanoate
CID 175966410
N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid
CID 54875546
2-[[2-(cyclopentylamino)acetyl]amino]-N-methylpropanamide
CID 61467728
1-(cyclohexanecarbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 113002958
[4-[[(2S)-2-[[4-(4-acetylpiperidin-1-yl)-4-oxobutanoyl]amino]propanoyl]amino]phenyl]methyl acetate
CID 145262333
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110822231
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 47400512
ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate
CID 60758306
N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 2300454
N-cyclohexyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 84514889

Frequently Asked Questions

What is the IUPAC name of N-cycloundecyl-1-[4-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide?
The IUPAC name of N-cycloundecyl-1-[4-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide (CID 155297174) is N-cycloundecyl-1-[4-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cycloundecyl-1-[4-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-cycloundecyl-1-[4-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide is CNC(=O)[C@H](C)NC(=O)CCC(=O)N1CCC(C(=O)NC2CCCCCCCCCC2)CC1.
What is the InChIKey of N-cycloundecyl-1-[4-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide?
The InChIKey is BXYIGQYYVBZTOQ-IBGZPJMESA-N. The full InChI is InChI=1S/C25H44N4O4/c1-19(24(32)26-2)27-22(30)13-14-23(31)29-17-15-20(16-18-29)25(33)28-21-11-9-7-5-3-4-6-8-10-12-21/h19-21H,3-18H2,1-2H3,(H,26,32)(H,27,30)(H,28,33)/t19-/m0/s1.
What are the key properties of N-cycloundecyl-1-[4-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide?
N-cycloundecyl-1-[4-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide has a molecular weight of 464.65 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloundecyl-1-[4-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 155297174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).