(2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide

C20H33N5O3 — CID 30172737

IUPAC(2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C20H33N5O3/c1-17(19(27)22-20(16-21)5-3-2-4-6-20)24-7-9-25(10-8-24)18(26)15-23-11-13-28-14-12-23/h17H,2-15H2,1H3,(H,22,27)/t17-/m0/s1
InChIKeyGCYVJLACRQDNOG-KRWDZBQOSA-N
MW391.52 g/mol
LogP0.19
Rot. Bonds5

About (2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide

(2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide (PubChem CID 30172737) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is (2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide
PubChem CID30172737
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC Name(2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C20H33N5O3/c1-17(19(27)22-20(16-21)5-3-2-4-6-20)24-7-9-25(10-8-24)18(26)15-23-11-13-28-14-12-23/h17H,2-15H2,1H3,(H,22,27)/t17-/m0/s1
InChIKeyGCYVJLACRQDNOG-KRWDZBQOSA-N
XLogP0.19
TPSA88.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 18208029
N-cyclopentyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 128951171
N-(1-cyanocycloheptyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 134018510
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 78808588
2-bromo-N-(1-cyanocycloheptyl)propanamide
CID 107903353
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
(2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8774722
N-(2-chloro-3-pyridinyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide
CID 55494146
N-(1-cyanocyclohexyl)-2-[4-(phenoxymethyl)piperidin-1-yl]propanamide
CID 128947363
N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 51282378
(2R)-2-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840052
N-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 51289685

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide (CID 30172737) is (2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide is C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of (2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide?
The InChIKey is GCYVJLACRQDNOG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-17(19(27)22-20(16-21)5-3-2-4-6-20)24-7-9-25(10-8-24)18(26)15-23-11-13-28-14-12-23/h17H,2-15H2,1H3,(H,22,27)/t17-/m0/s1.
What are the key properties of (2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide?
(2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide has a molecular weight of 391.52 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 30172737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).